NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
2590 | 1c4e | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HN PCA 1 HN PCA 1 -13.530 -9.087 -5.487 2 HA PCA 1 HA PCA 1 -13.608 -8.240 -2.993 3 1HB PCA 1 1HB PCA 1 -10.661 -7.721 -3.370 4 2HB PCA 1 2HB PCA 1 -11.543 -8.249 -1.905 5 1HG PCA 1 1HG PCA 1 -10.079 -9.965 -3.571 6 2HG PCA 1 2HG PCA 1 -11.415 -10.499 -2.504 7 H GLN 2 H GLN 2 -13.296 -5.940 -2.488 8 HA GLN 2 HA GLN 2 -14.026 -4.286 -4.629 9 1HB GLN 2 2HB GLN 2 -14.653 -3.742 -2.358 10 2HB GLN 2 1HB GLN 2 -12.966 -3.571 -1.893 11 1HG GLN 2 2HG GLN 2 -12.796 -1.684 -3.517 12 2HG GLN 2 1HG GLN 2 -14.539 -1.803 -3.747 13 1HE2 GLN 2 1HE2 GLN 2 -11.986 -0.813 -1.647 14 2HE2 GLN 2 2HE2 GLN 2 -12.971 -0.012 -0.476 15 H CYS 3 H CYS 3 -12.860 -2.164 -5.047 16 HA CYS 3 HA CYS 3 -10.289 -2.802 -6.171 17 1HB CYS 3 2HB CYS 3 -10.515 -0.881 -7.417 18 2HB CYS 3 1HB CYS 3 -12.208 -1.205 -7.078 19 H VAL 4 H VAL 4 -9.088 -0.270 -5.997 20 HA VAL 4 HA VAL 4 -8.648 0.328 -3.197 21 HB VAL 4 HB VAL 4 -6.258 -0.428 -4.863 22 1HG1 VAL 4 1HG1 VAL 4 -5.937 1.118 -2.961 23 2HG1 VAL 4 2HG1 VAL 4 -5.092 -0.416 -2.748 24 3HG1 VAL 4 3HG1 VAL 4 -6.599 -0.111 -1.883 25 1HG2 VAL 4 1HG2 VAL 4 -6.183 -2.561 -3.832 26 2HG2 VAL 4 2HG2 VAL 4 -7.816 -2.369 -4.471 27 3HG2 VAL 4 3HG2 VAL 4 -7.512 -2.157 -2.747 28 H LYS 5 H LYS 5 -8.405 2.436 -2.995 29 HA LYS 5 HA LYS 5 -8.245 4.106 -5.303 30 1HB LYS 5 2HB LYS 5 -9.130 4.363 -2.642 31 2HB LYS 5 1HB LYS 5 -7.858 5.552 -2.862 32 1HG LYS 5 2HG LYS 5 -9.376 6.880 -3.781 33 2HG LYS 5 1HG LYS 5 -9.429 5.766 -5.148 34 1HD LYS 5 2HD LYS 5 -11.660 6.261 -4.147 35 2HD LYS 5 1HD LYS 5 -11.243 4.545 -4.167 36 1HE LYS 5 2HE LYS 5 -11.285 4.404 -1.936 37 2HE LYS 5 1HE LYS 5 -10.367 5.897 -1.742 38 1HZ LYS 5 1HZ LYS 5 -12.456 7.120 -2.178 39 2HZ LYS 5 2HZ LYS 5 -12.514 6.181 -0.772 40 3HZ LYS 5 3HZ LYS 5 -13.293 5.649 -2.176 41 H LYS 6 H LYS 6 -6.600 5.491 -5.924 42 HA LYS 6 HA LYS 6 -3.967 4.640 -5.590 43 1HB LYS 6 2HB LYS 6 -4.653 5.998 -7.490 44 2HB LYS 6 1HB LYS 6 -5.009 7.352 -6.427 45 1HG LYS 6 2HG LYS 6 -2.260 6.253 -6.354 46 2HG LYS 6 1HG LYS 6 -2.742 7.164 -7.787 47 1HD LYS 6 2HD LYS 6 -3.450 8.375 -5.192 48 2HD LYS 6 1HD LYS 6 -1.725 8.294 -5.558 49 1HE LYS 6 2HE LYS 6 -2.912 9.162 -7.920 50 2HE LYS 6 1HE LYS 6 -3.769 10.030 -6.646 51 1HZ LYS 6 1HZ LYS 6 -1.789 10.982 -5.878 52 2HZ LYS 6 2HZ LYS 6 -1.690 11.105 -7.562 53 3HZ LYS 6 3HZ LYS 6 -0.814 9.908 -6.750 54 H ASP 7 H ASP 7 -2.319 5.195 -4.247 55 HA ASP 7 HA ASP 7 -1.185 6.456 -2.643 56 1HB ASP 7 2HB ASP 7 -2.520 8.443 -2.982 57 2HB ASP 7 1HB ASP 7 -3.899 7.706 -2.172 58 H GLU 8 H GLU 8 -3.891 4.450 -2.360 59 HA GLU 8 HA GLU 8 -3.595 4.025 0.503 60 1HB GLU 8 2HB GLU 8 -5.472 2.924 -1.580 61 2HB GLU 8 1HB GLU 8 -5.396 2.254 0.044 62 1HG GLU 8 2HG GLU 8 -5.718 4.782 0.723 63 2HG GLU 8 1HG GLU 8 -6.431 4.874 -0.886 64 H LEU 9 H LEU 9 -2.876 2.099 1.435 65 HA LEU 9 HA LEU 9 -0.772 0.799 0.119 66 1HB LEU 9 2HB LEU 9 -2.308 0.161 2.622 67 2HB LEU 9 1HB LEU 9 -0.926 -0.779 2.093 68 HG LEU 9 HG LEU 9 -0.792 1.322 3.797 69 1HD1 LEU 9 1HD1 LEU 9 1.475 0.774 1.924 70 2HD1 LEU 9 2HD1 LEU 9 0.919 -0.456 3.059 71 3HD1 LEU 9 3HD1 LEU 9 1.514 1.093 3.658 72 1HD2 LEU 9 1HD2 LEU 9 -1.044 3.221 2.645 73 2HD2 LEU 9 2HD2 LEU 9 -0.831 2.415 1.091 74 3HD2 LEU 9 3HD2 LEU 9 0.579 2.898 2.034 75 H CYS 10 H CYS 10 -0.801 -1.797 0.439 76 HA CYS 10 HA CYS 10 -3.080 -3.266 -0.189 77 1HB CYS 10 2HB CYS 10 -2.578 -1.717 -2.326 78 2HB CYS 10 1HB CYS 10 -1.502 -3.058 -2.702 79 H ILE 11 H ILE 11 -2.192 -5.339 -1.648 80 HA ILE 11 HA ILE 11 0.481 -6.011 -0.693 81 HB ILE 11 HB ILE 11 -1.612 -8.082 -0.316 82 1HG1 ILE 11 2HG1 ILE 11 -1.063 -6.026 1.820 83 2HG1 ILE 11 1HG1 ILE 11 -2.428 -5.890 0.715 84 1HG2 ILE 11 1HG2 ILE 11 1.011 -8.147 0.032 85 2HG2 ILE 11 2HG2 ILE 11 -0.086 -9.048 1.080 86 3HG2 ILE 11 3HG2 ILE 11 0.569 -7.500 1.612 87 1HD1 ILE 11 1HD1 ILE 11 -2.274 -7.317 3.132 88 2HD1 ILE 11 2HD1 ILE 11 -2.407 -8.507 1.836 89 3HD1 ILE 11 3HD1 ILE 11 -3.620 -7.236 1.995 90 HA PRO 12 HA PRO 12 0.564 -7.598 -4.862 91 1HB PRO 12 2HB PRO 12 3.045 -8.730 -4.678 92 2HB PRO 12 1HB PRO 12 2.776 -7.004 -4.946 93 1HG PRO 12 2HG PRO 12 3.414 -8.450 -2.405 94 2HG PRO 12 1HG PRO 12 4.053 -6.910 -3.009 95 1HD PRO 12 2HD PRO 12 2.129 -7.019 -1.124 96 2HD PRO 12 1HD PRO 12 2.185 -5.725 -2.339 97 H TYR 13 H TYR 13 -0.557 -9.357 -5.396 98 HA TYR 13 HA TYR 13 -0.869 -11.633 -5.740 99 1HB TYR 13 2HB TYR 13 0.708 -12.287 -3.271 100 2HB TYR 13 1HB TYR 13 0.453 -13.263 -4.714 101 HD1 TYR 13 HD1 TYR 13 1.132 -10.999 -6.696 102 HD2 TYR 13 HD2 TYR 13 3.092 -12.484 -3.225 103 HE1 TYR 13 HE1 TYR 13 3.290 -10.234 -7.595 104 HE2 TYR 13 HE2 TYR 13 5.255 -11.723 -4.113 105 HH TYR 13 HH TYR 13 5.609 -10.582 -7.364 106 H TYR 14 H TYR 14 -2.167 -9.641 -3.858 107 HA TYR 14 HA TYR 14 -3.851 -11.604 -2.479 108 1HB TYR 14 2HB TYR 14 -2.200 -9.536 -1.244 109 2HB TYR 14 1HB TYR 14 -3.893 -9.427 -0.774 110 HD1 TYR 14 HD1 TYR 14 -4.986 -11.725 -0.060 111 HD2 TYR 14 HD2 TYR 14 -0.807 -10.925 -0.035 112 HE1 TYR 14 HE1 TYR 14 -4.655 -13.541 1.564 113 HE2 TYR 14 HE2 TYR 14 -0.463 -12.740 1.589 114 HH TYR 14 HH TYR 14 -2.856 -14.082 3.380 115 H LEU 15 H LEU 15 -3.831 -8.057 -2.454 116 HA LEU 15 HA LEU 15 -6.555 -8.120 -3.554 117 1HB LEU 15 2HB LEU 15 -5.702 -5.542 -2.559 118 2HB LEU 15 1HB LEU 15 -7.093 -6.509 -2.108 119 HG LEU 15 HG LEU 15 -5.603 -7.828 -0.591 120 1HD1 LEU 15 1HD1 LEU 15 -3.542 -5.951 -0.207 121 2HD1 LEU 15 2HD1 LEU 15 -3.596 -6.302 -1.935 122 3HD1 LEU 15 3HD1 LEU 15 -3.405 -7.616 -0.774 123 1HD2 LEU 15 1HD2 LEU 15 -5.249 -5.108 0.411 124 2HD2 LEU 15 2HD2 LEU 15 -6.171 -6.455 1.080 125 3HD2 LEU 15 3HD2 LEU 15 -6.875 -5.444 -0.183 126 H ASP 16 H ASP 16 -7.139 -6.136 -4.863 127 HA ASP 16 HA ASP 16 -4.904 -5.277 -6.568 128 1HB ASP 16 2HB ASP 16 -6.311 -5.534 -8.555 129 2HB ASP 16 1HB ASP 16 -6.134 -7.073 -7.719 130 H CYS 17 H CYS 17 -5.308 -3.268 -7.734 131 HA CYS 17 HA CYS 17 -6.885 -1.446 -6.122 132 1HB CYS 17 2HB CYS 17 -4.945 -0.951 -8.386 133 2HB CYS 17 1HB CYS 17 -5.746 0.304 -7.459 134 H CYS 18 H CYS 18 -8.097 0.312 -7.301 135 HA CYS 18 HA CYS 18 -10.192 -0.808 -8.768 136 1HB CYS 18 2HB CYS 18 -9.637 2.093 -9.093 137 2HB CYS 18 1HB CYS 18 -11.147 1.265 -8.730 138 H GLU 19 H GLU 19 -8.637 1.964 -10.215 139 HA GLU 19 HA GLU 19 -7.205 0.866 -12.282 140 1HB GLU 19 2HB GLU 19 -9.593 -0.158 -12.676 141 2HB GLU 19 1HB GLU 19 -9.936 1.416 -13.380 142 1HG GLU 19 2HG GLU 19 -7.483 0.536 -14.460 143 2HG GLU 19 1HG GLU 19 -8.608 -0.817 -14.537 144 HA PRO 20 HA PRO 20 -6.604 1.282 -14.228 145 1HB PRO 20 2HB PRO 20 -4.589 2.558 -15.426 146 2HB PRO 20 1HB PRO 20 -6.250 2.731 -16.009 147 1HG PRO 20 2HG PRO 20 -4.621 4.601 -14.340 148 2HG PRO 20 1HG PRO 20 -5.741 4.966 -15.664 149 1HD PRO 20 2HD PRO 20 -6.353 5.140 -12.963 150 2HD PRO 20 1HD PRO 20 -7.543 4.994 -14.269 151 H LEU 21 H LEU 21 -5.931 2.590 -11.447 152 HA LEU 21 HA LEU 21 -3.183 2.455 -11.019 153 1HB LEU 21 2HB LEU 21 -5.336 1.729 -9.037 154 2HB LEU 21 1HB LEU 21 -3.703 2.245 -8.666 155 HG LEU 21 HG LEU 21 -5.588 4.037 -10.168 156 1HD1 LEU 21 1HD1 LEU 21 -6.325 3.112 -7.777 157 2HD1 LEU 21 2HD1 LEU 21 -6.628 4.770 -8.296 158 3HD1 LEU 21 3HD1 LEU 21 -5.252 4.409 -7.254 159 1HD2 LEU 21 1HD2 LEU 21 -3.965 5.547 -8.562 160 2HD2 LEU 21 2HD2 LEU 21 -3.678 5.196 -10.266 161 3HD2 LEU 21 3HD2 LEU 21 -2.908 4.213 -9.021 162 H GLU 22 H GLU 22 -2.139 0.804 -9.517 163 HA GLU 22 HA GLU 22 -2.999 -1.933 -10.133 164 1HB GLU 22 2HB GLU 22 -1.238 -1.173 -11.760 165 2HB GLU 22 1HB GLU 22 -0.137 -1.000 -10.401 166 1HG GLU 22 2HG GLU 22 -0.034 -3.288 -10.027 167 2HG GLU 22 1HG GLU 22 -1.520 -3.598 -10.924 168 H CYS 23 H CYS 23 -3.330 -2.864 -8.226 169 HA CYS 23 HA CYS 23 -2.254 -1.952 -5.786 170 1HB CYS 23 2HB CYS 23 -4.267 -3.116 -5.575 171 2HB CYS 23 1HB CYS 23 -3.735 -4.423 -6.627 172 H LYS 24 H LYS 24 0.014 -1.844 -6.137 173 HA LYS 24 HA LYS 24 1.356 -4.339 -5.505 174 1HB LYS 24 2HB LYS 24 3.121 -3.561 -7.346 175 2HB LYS 24 1HB LYS 24 1.794 -4.652 -7.720 176 1HG LYS 24 2HG LYS 24 1.098 -3.244 -9.273 177 2HG LYS 24 1HG LYS 24 0.815 -2.023 -8.030 178 1HD LYS 24 2HD LYS 24 2.297 -1.196 -9.805 179 2HD LYS 24 1HD LYS 24 3.113 -1.250 -8.240 180 1HE LYS 24 2HE LYS 24 4.722 -2.201 -9.558 181 2HE LYS 24 1HE LYS 24 3.828 -3.642 -9.076 182 1HZ LYS 24 1HZ LYS 24 4.255 -3.661 -11.438 183 2HZ LYS 24 2HZ LYS 24 3.503 -2.159 -11.629 184 3HZ LYS 24 3HZ LYS 24 2.592 -3.506 -11.165 185 H LYS 25 H LYS 25 3.977 -3.457 -5.897 186 HA LYS 25 HA LYS 25 4.344 -1.836 -3.582 187 1HB LYS 25 2HB LYS 25 5.956 -3.561 -4.173 188 2HB LYS 25 1HB LYS 25 6.311 -2.743 -5.689 189 1HG LYS 25 2HG LYS 25 7.313 -0.903 -4.541 190 2HG LYS 25 1HG LYS 25 6.791 -1.532 -2.978 191 1HD LYS 25 2HD LYS 25 9.216 -1.931 -3.591 192 2HD LYS 25 1HD LYS 25 8.293 -3.352 -3.098 193 1HE LYS 25 2HE LYS 25 8.928 -4.327 -4.992 194 2HE LYS 25 1HE LYS 25 7.924 -3.163 -5.856 195 1HZ LYS 25 1HZ LYS 25 10.775 -2.739 -5.138 196 2HZ LYS 25 2HZ LYS 25 9.805 -1.696 -6.052 197 3HZ LYS 25 3HZ LYS 25 10.222 -3.217 -6.664 198 H VAL 26 H VAL 26 4.517 0.284 -3.392 199 HA VAL 26 HA VAL 26 4.352 1.937 -5.779 200 HB VAL 26 HB VAL 26 4.548 3.256 -3.152 201 1HG1 VAL 26 1HG1 VAL 26 2.154 3.686 -4.735 202 2HG1 VAL 26 2HG1 VAL 26 3.630 3.884 -5.681 203 3HG1 VAL 26 3HG1 VAL 26 3.387 4.834 -4.215 204 1HG2 VAL 26 1HG2 VAL 26 2.308 2.626 -2.431 205 2HG2 VAL 26 2HG2 VAL 26 3.356 1.211 -2.518 206 3HG2 VAL 26 3HG2 VAL 26 2.171 1.511 -3.789 207 H ASN 27 H ASN 27 6.622 0.923 -3.409 208 HA ASN 27 HA ASN 27 8.691 2.555 -4.677 209 1HB ASN 27 2HB ASN 27 9.373 2.417 -1.953 210 2HB ASN 27 1HB ASN 27 8.937 3.848 -2.876 211 1HD2 ASN 27 1HD2 ASN 27 7.705 4.965 -1.512 212 2HD2 ASN 27 2HD2 ASN 27 6.279 4.366 -0.741 213 H TRP 28 H TRP 28 9.859 1.288 -1.880 214 HA TRP 28 HA TRP 28 10.664 -1.229 -3.164 215 1HB TRP 28 2HB TRP 28 12.872 -0.927 -2.594 216 2HB TRP 28 1HB TRP 28 12.396 0.751 -2.845 217 HD1 TRP 28 HD1 TRP 28 10.847 0.995 0.032 218 HE1 TRP 28 HE1 TRP 28 12.290 1.259 2.146 219 HE3 TRP 28 HE3 TRP 28 15.269 -0.837 -1.769 220 HZ2 TRP 28 HZ2 TRP 28 14.952 0.759 2.943 221 HZ3 TRP 28 HZ3 TRP 28 17.216 -0.909 -0.266 222 HH2 TRP 28 HH2 TRP 28 17.058 -0.127 2.042 223 H TRP 29 H TRP 29 9.316 0.314 -0.454 224 HA TRP 29 HA TRP 29 9.316 -2.235 1.008 225 1HB TRP 29 2HB TRP 29 10.130 -1.346 2.930 226 2HB TRP 29 1HB TRP 29 10.848 -0.167 1.838 227 HD1 TRP 29 HD1 TRP 29 7.627 -0.548 3.968 228 HE1 TRP 29 HE1 TRP 29 6.946 1.792 4.796 229 HE3 TRP 29 HE3 TRP 29 11.202 2.229 1.590 230 HZ2 TRP 29 HZ2 TRP 29 7.810 4.461 4.483 231 HZ3 TRP 29 HZ3 TRP 29 11.205 4.669 1.907 232 HH2 TRP 29 HH2 TRP 29 9.543 5.760 3.324 233 H ASP 30 H ASP 30 7.748 0.823 0.305 234 HA ASP 30 HA ASP 30 5.361 0.051 1.785 235 1HB ASP 30 2HB ASP 30 6.532 2.495 1.267 236 2HB ASP 30 1HB ASP 30 5.172 2.466 0.148 237 H HIS 31 H HIS 31 3.704 -0.965 0.893 238 HA HIS 31 HA HIS 31 3.531 -1.069 -2.039 239 1HB HIS 31 2HB HIS 31 2.943 -3.012 0.137 240 2HB HIS 31 1HB HIS 31 1.923 -3.068 -1.294 241 HD1 HIS 31 HD1 HIS 31 5.684 -2.844 -0.708 242 HD2 HIS 31 HD2 HIS 31 2.907 -4.874 -3.038 243 HE1 HIS 31 HE1 HIS 31 7.030 -4.409 -2.144 244 HE2 HIS 31 HE2 HIS 31 5.325 -5.662 -3.514 245 H LYS 32 H LYS 32 1.912 -0.002 -2.979 246 HA LYS 32 HA LYS 32 -0.655 0.237 -1.626 247 1HB LYS 32 2HB LYS 32 0.932 2.611 -2.614 248 2HB LYS 32 1HB LYS 32 -0.762 2.671 -2.147 249 1HG LYS 32 2HG LYS 32 -0.275 2.755 0.026 250 2HG LYS 32 1HG LYS 32 0.953 1.494 -0.107 251 1HD LYS 32 2HD LYS 32 2.148 3.401 0.535 252 2HD LYS 32 1HD LYS 32 2.408 3.289 -1.207 253 1HE LYS 32 2HE LYS 32 0.111 4.799 -0.998 254 2HE LYS 32 1HE LYS 32 1.088 5.358 0.359 255 1HZ LYS 32 1HZ LYS 32 2.459 6.420 -1.010 256 2HZ LYS 32 2HZ LYS 32 1.330 6.156 -2.241 257 3HZ LYS 32 3HZ LYS 32 2.623 5.084 -2.037 258 H CYS 33 H CYS 33 -1.393 2.340 -3.571 259 HA CYS 33 HA CYS 33 -1.855 0.582 -5.867 260 1HB CYS 33 2HB CYS 33 -3.368 2.821 -4.599 261 2HB CYS 33 1HB CYS 33 -3.617 2.487 -6.306 262 H ILE 34 H ILE 34 -1.015 1.053 -7.805 263 HA ILE 34 HA ILE 34 0.087 3.753 -8.221 264 HB ILE 34 HB ILE 34 1.586 2.181 -9.886 265 1HG1 ILE 34 2HG1 ILE 34 0.577 0.179 -8.694 266 2HG1 ILE 34 1HG1 ILE 34 2.336 0.245 -8.723 267 1HG2 ILE 34 1HG2 ILE 34 3.404 2.552 -8.246 268 2HG2 ILE 34 2HG2 ILE 34 2.196 3.078 -7.074 269 3HG2 ILE 34 3HG2 ILE 34 2.444 3.998 -8.559 270 1HD1 ILE 34 1HD1 ILE 34 0.593 0.053 -6.494 271 2HD1 ILE 34 2HD1 ILE 34 1.480 1.572 -6.383 272 3HD1 ILE 34 3HD1 ILE 34 2.356 0.048 -6.525 273 H GLY 35 HN GLY 35 0.923 2.462 -10.929 274 1HA GLY 35 2HA GLY 35 -1.377 1.823 -12.387 275 2HA GLY 35 1HA GLY 35 -1.171 3.567 -12.459 Start of MODEL 2 1 HN PCA 1 HN PCA 1 -15.382 -8.712 -5.039 2 HA PCA 1 HA PCA 1 -14.133 -8.107 -2.865 3 1HB PCA 1 1HB PCA 1 -11.611 -7.859 -4.478 4 2HB PCA 1 2HB PCA 1 -11.851 -8.564 -2.852 5 1HG PCA 1 1HG PCA 1 -11.526 -10.080 -5.176 6 2HG PCA 1 2HG PCA 1 -12.377 -10.667 -3.713 7 H GLN 2 H GLN 2 -12.894 -5.961 -2.569 8 HA GLN 2 HA GLN 2 -14.129 -4.015 -4.365 9 1HB GLN 2 2HB GLN 2 -13.029 -2.539 -2.355 10 2HB GLN 2 1HB GLN 2 -14.670 -3.171 -2.349 11 1HG GLN 2 2HG GLN 2 -13.610 -5.261 -1.264 12 2HG GLN 2 1HG GLN 2 -12.250 -4.191 -0.924 13 1HE2 GLN 2 1HE2 GLN 2 -15.388 -5.154 -0.023 14 2HE2 GLN 2 2HE2 GLN 2 -15.610 -4.044 1.281 15 H CYS 3 H CYS 3 -12.953 -2.208 -5.172 16 HA CYS 3 HA CYS 3 -10.386 -2.872 -6.182 17 1HB CYS 3 2HB CYS 3 -10.551 -0.956 -7.452 18 2HB CYS 3 1HB CYS 3 -12.251 -1.230 -7.103 19 H VAL 4 H VAL 4 -9.121 -0.354 -6.056 20 HA VAL 4 HA VAL 4 -8.622 0.263 -3.274 21 HB VAL 4 HB VAL 4 -6.283 -0.612 -4.953 22 1HG1 VAL 4 1HG1 VAL 4 -6.188 0.980 -2.872 23 2HG1 VAL 4 2HG1 VAL 4 -4.989 -0.297 -3.082 24 3HG1 VAL 4 3HG1 VAL 4 -6.343 -0.531 -1.975 25 1HG2 VAL 4 1HG2 VAL 4 -7.826 -2.511 -4.556 26 2HG2 VAL 4 2HG2 VAL 4 -7.669 -2.229 -2.823 27 3HG2 VAL 4 3HG2 VAL 4 -6.260 -2.707 -3.770 28 H LYS 5 H LYS 5 -8.339 2.360 -3.119 29 HA LYS 5 HA LYS 5 -8.055 3.965 -5.477 30 1HB LYS 5 2HB LYS 5 -9.142 4.308 -2.908 31 2HB LYS 5 1HB LYS 5 -7.836 5.472 -3.048 32 1HG LYS 5 2HG LYS 5 -9.247 6.801 -4.120 33 2HG LYS 5 1HG LYS 5 -9.205 5.654 -5.461 34 1HD LYS 5 2HD LYS 5 -11.489 5.953 -4.940 35 2HD LYS 5 1HD LYS 5 -11.041 4.389 -4.255 36 1HE LYS 5 2HE LYS 5 -11.842 5.101 -2.307 37 2HE LYS 5 1HE LYS 5 -10.507 6.250 -2.246 38 1HZ LYS 5 1HZ LYS 5 -13.119 6.798 -3.544 39 2HZ LYS 5 2HZ LYS 5 -11.861 7.899 -3.293 40 3HZ LYS 5 3HZ LYS 5 -12.718 7.280 -1.973 41 H LYS 6 H LYS 6 -6.356 5.308 -6.027 42 HA LYS 6 HA LYS 6 -3.765 4.470 -5.494 43 1HB LYS 6 2HB LYS 6 -4.039 5.773 -7.423 44 2HB LYS 6 1HB LYS 6 -4.894 7.043 -6.557 45 1HG LYS 6 2HG LYS 6 -2.982 8.159 -6.491 46 2HG LYS 6 1HG LYS 6 -2.389 6.943 -5.358 47 1HD LYS 6 2HD LYS 6 -1.198 5.824 -6.970 48 2HD LYS 6 1HD LYS 6 -2.258 6.359 -8.276 49 1HE LYS 6 2HE LYS 6 -0.091 7.430 -8.465 50 2HE LYS 6 1HE LYS 6 -1.329 8.625 -8.078 51 1HZ LYS 6 1HZ LYS 6 -0.620 8.322 -5.691 52 2HZ LYS 6 2HZ LYS 6 0.490 9.107 -6.699 53 3HZ LYS 6 3HZ LYS 6 0.729 7.486 -6.280 54 H ASP 7 H ASP 7 -2.185 5.069 -4.069 55 HA ASP 7 HA ASP 7 -1.178 6.334 -2.381 56 1HB ASP 7 2HB ASP 7 -2.462 8.316 -2.698 57 2HB ASP 7 1HB ASP 7 -3.941 7.530 -2.154 58 H GLU 8 H GLU 8 -3.902 4.311 -2.274 59 HA GLU 8 HA GLU 8 -3.689 3.789 0.582 60 1HB GLU 8 2HB GLU 8 -5.480 2.571 -1.528 61 2HB GLU 8 1HB GLU 8 -5.562 2.217 0.192 62 1HG GLU 8 2HG GLU 8 -6.054 4.608 0.611 63 2HG GLU 8 1HG GLU 8 -6.102 4.863 -1.133 64 H LEU 9 H LEU 9 -2.897 1.913 1.470 65 HA LEU 9 HA LEU 9 -0.829 0.594 0.162 66 1HB LEU 9 2HB LEU 9 -2.450 -0.110 2.594 67 2HB LEU 9 1HB LEU 9 -1.084 -1.070 2.065 68 HG LEU 9 HG LEU 9 -1.001 1.062 3.813 69 1HD1 LEU 9 1HD1 LEU 9 0.592 -0.807 3.602 70 2HD1 LEU 9 2HD1 LEU 9 1.387 0.761 3.748 71 3HD1 LEU 9 3HD1 LEU 9 1.276 -0.029 2.174 72 1HD2 LEU 9 1HD2 LEU 9 -0.381 1.976 1.054 73 2HD2 LEU 9 2HD2 LEU 9 0.634 2.550 2.377 74 3HD2 LEU 9 3HD2 LEU 9 -1.103 2.855 2.401 75 H CYS 10 H CYS 10 -0.973 -2.055 0.437 76 HA CYS 10 HA CYS 10 -3.203 -3.473 -0.286 77 1HB CYS 10 2HB CYS 10 -2.975 -1.758 -2.278 78 2HB CYS 10 1HB CYS 10 -1.760 -2.900 -2.842 79 H ILE 11 H ILE 11 -2.353 -5.332 -2.066 80 HA ILE 11 HA ILE 11 0.370 -6.072 -1.378 81 HB ILE 11 HB ILE 11 -1.700 -8.169 -0.964 82 1HG1 ILE 11 2HG1 ILE 11 -0.862 -6.277 1.233 83 2HG1 ILE 11 1HG1 ILE 11 -2.377 -6.114 0.352 84 1HG2 ILE 11 1HG2 ILE 11 0.006 -9.326 -0.088 85 2HG2 ILE 11 2HG2 ILE 11 0.568 -7.949 0.859 86 3HG2 ILE 11 3HG2 ILE 11 1.034 -8.104 -0.834 87 1HD1 ILE 11 1HD1 ILE 11 -1.639 -7.941 2.497 88 2HD1 ILE 11 2HD1 ILE 11 -2.448 -8.726 1.141 89 3HD1 ILE 11 3HD1 ILE 11 -3.227 -7.379 1.974 90 HA PRO 12 HA PRO 12 -0.064 -7.206 -5.696 91 1HB PRO 12 2HB PRO 12 2.518 -8.068 -5.972 92 2HB PRO 12 1HB PRO 12 2.038 -6.369 -6.046 93 1HG PRO 12 2HG PRO 12 3.197 -7.914 -3.760 94 2HG PRO 12 1HG PRO 12 3.578 -6.271 -4.310 95 1HD PRO 12 2HD PRO 12 1.987 -6.730 -2.187 96 2HD PRO 12 1HD PRO 12 1.718 -5.359 -3.283 97 H TYR 13 H TYR 13 -0.738 -9.037 -3.420 98 HA TYR 13 HA TYR 13 -0.823 -11.459 -4.899 99 1HB TYR 13 2HB TYR 13 1.125 -11.273 -2.601 100 2HB TYR 13 1HB TYR 13 0.468 -12.806 -3.164 101 HD1 TYR 13 HD1 TYR 13 3.149 -10.587 -3.459 102 HD2 TYR 13 HD2 TYR 13 0.708 -13.176 -5.792 103 HE1 TYR 13 HE1 TYR 13 4.918 -10.709 -5.163 104 HE2 TYR 13 HE2 TYR 13 2.470 -13.305 -7.503 105 HH TYR 13 HH TYR 13 4.794 -11.275 -7.909 106 H TYR 14 H TYR 14 -2.441 -9.532 -3.284 107 HA TYR 14 HA TYR 14 -3.979 -11.537 -1.846 108 1HB TYR 14 2HB TYR 14 -2.326 -9.565 -0.515 109 2HB TYR 14 1HB TYR 14 -4.024 -9.354 -0.096 110 HD1 TYR 14 HD1 TYR 14 -1.064 -11.045 0.723 111 HD2 TYR 14 HD2 TYR 14 -5.278 -11.593 0.542 112 HE1 TYR 14 HE1 TYR 14 -0.885 -12.891 2.333 113 HE2 TYR 14 HE2 TYR 14 -5.113 -13.442 2.153 114 HH TYR 14 HH TYR 14 -3.733 -14.777 3.292 115 H LEU 15 H LEU 15 -3.653 -8.321 -3.171 116 HA LEU 15 HA LEU 15 -6.487 -8.287 -3.787 117 1HB LEU 15 2HB LEU 15 -5.771 -5.712 -2.690 118 2HB LEU 15 1HB LEU 15 -7.139 -6.743 -2.316 119 HG LEU 15 HG LEU 15 -5.115 -8.031 -1.021 120 1HD1 LEU 15 1HD1 LEU 15 -3.970 -5.623 -1.665 121 2HD1 LEU 15 2HD1 LEU 15 -3.462 -6.693 -0.359 122 3HD1 LEU 15 3HD1 LEU 15 -4.562 -5.355 -0.025 123 1HD2 LEU 15 1HD2 LEU 15 -6.601 -5.831 0.345 124 2HD2 LEU 15 2HD2 LEU 15 -6.235 -7.460 0.915 125 3HD2 LEU 15 3HD2 LEU 15 -7.473 -7.213 -0.317 126 H ASP 16 H ASP 16 -7.014 -6.158 -4.999 127 HA ASP 16 HA ASP 16 -4.713 -5.271 -6.593 128 1HB ASP 16 2HB ASP 16 -6.605 -5.326 -8.511 129 2HB ASP 16 1HB ASP 16 -5.498 -6.663 -8.214 130 H CYS 17 H CYS 17 -5.154 -3.270 -7.816 131 HA CYS 17 HA CYS 17 -6.762 -1.469 -6.211 132 1HB CYS 17 2HB CYS 17 -4.903 -0.887 -8.522 133 2HB CYS 17 1HB CYS 17 -5.630 0.299 -7.454 134 H CYS 18 H CYS 18 -8.114 0.172 -7.285 135 HA CYS 18 HA CYS 18 -10.158 -0.934 -8.769 136 1HB CYS 18 2HB CYS 18 -9.592 1.957 -9.169 137 2HB CYS 18 1HB CYS 18 -11.107 1.146 -8.793 138 H GLU 19 H GLU 19 -8.281 1.689 -10.201 139 HA GLU 19 HA GLU 19 -6.977 0.543 -12.260 140 1HB GLU 19 2HB GLU 19 -9.373 -0.448 -12.657 141 2HB GLU 19 1HB GLU 19 -9.689 1.115 -13.397 142 1HG GLU 19 2HG GLU 19 -8.868 0.285 -15.276 143 2HG GLU 19 1HG GLU 19 -7.281 0.305 -14.507 144 HA PRO 20 HA PRO 20 -6.253 0.877 -14.101 145 1HB PRO 20 2HB PRO 20 -4.168 2.077 -15.266 146 2HB PRO 20 1HB PRO 20 -5.796 2.212 -15.940 147 1HG PRO 20 2HG PRO 20 -4.235 4.190 -14.344 148 2HG PRO 20 1HG PRO 20 -5.335 4.464 -15.705 149 1HD PRO 20 2HD PRO 20 -5.975 4.771 -13.006 150 2HD PRO 20 1HD PRO 20 -7.141 4.619 -14.333 151 H LEU 21 H LEU 21 -5.393 2.826 -11.554 152 HA LEU 21 HA LEU 21 -2.805 2.568 -10.917 153 1HB LEU 21 2HB LEU 21 -4.995 1.804 -8.990 154 2HB LEU 21 1HB LEU 21 -3.410 2.434 -8.585 155 HG LEU 21 HG LEU 21 -5.430 4.012 -10.169 156 1HD1 LEU 21 1HD1 LEU 21 -4.920 4.497 -7.273 157 2HD1 LEU 21 2HD1 LEU 21 -6.079 3.259 -7.756 158 3HD1 LEU 21 3HD1 LEU 21 -6.314 4.933 -8.261 159 1HD2 LEU 21 1HD2 LEU 21 -3.054 4.679 -10.332 160 2HD2 LEU 21 2HD2 LEU 21 -3.019 4.878 -8.579 161 3HD2 LEU 21 3HD2 LEU 21 -4.063 5.904 -9.563 162 H GLU 22 H GLU 22 -1.768 0.984 -9.310 163 HA GLU 22 HA GLU 22 -2.468 -1.785 -10.011 164 1HB GLU 22 2HB GLU 22 -0.339 -0.539 -11.119 165 2HB GLU 22 1HB GLU 22 0.406 -1.182 -9.661 166 1HG GLU 22 2HG GLU 22 0.059 -3.373 -10.287 167 2HG GLU 22 1HG GLU 22 -1.251 -2.959 -11.393 168 H CYS 23 H CYS 23 -2.763 -3.012 -8.281 169 HA CYS 23 HA CYS 23 -2.121 -2.053 -5.654 170 1HB CYS 23 2HB CYS 23 -4.139 -3.245 -5.757 171 2HB CYS 23 1HB CYS 23 -3.441 -4.526 -6.742 172 H LYS 24 H LYS 24 0.241 -1.933 -6.172 173 HA LYS 24 HA LYS 24 1.538 -4.334 -5.178 174 1HB LYS 24 2HB LYS 24 2.838 -4.811 -6.991 175 2HB LYS 24 1HB LYS 24 1.437 -4.164 -7.834 176 1HG LYS 24 2HG LYS 24 3.669 -2.346 -7.045 177 2HG LYS 24 1HG LYS 24 3.813 -3.364 -8.478 178 1HD LYS 24 2HD LYS 24 1.315 -2.287 -8.779 179 2HD LYS 24 1HD LYS 24 2.208 -0.960 -8.031 180 1HE LYS 24 2HE LYS 24 3.960 -1.233 -9.769 181 2HE LYS 24 1HE LYS 24 2.947 -2.449 -10.546 182 1HZ LYS 24 1HZ LYS 24 1.580 -0.897 -11.381 183 2HZ LYS 24 2HZ LYS 24 2.889 0.149 -11.148 184 3HZ LYS 24 3HZ LYS 24 1.646 0.082 -10.003 185 H LYS 25 H LYS 25 4.169 -3.553 -5.698 186 HA LYS 25 HA LYS 25 4.690 -1.812 -3.575 187 1HB LYS 25 2HB LYS 25 6.314 -3.445 -4.473 188 2HB LYS 25 1HB LYS 25 6.480 -2.466 -5.923 189 1HG LYS 25 2HG LYS 25 7.667 -0.820 -4.842 190 2HG LYS 25 1HG LYS 25 7.009 -1.237 -3.259 191 1HD LYS 25 2HD LYS 25 8.858 -3.045 -4.801 192 2HD LYS 25 1HD LYS 25 9.430 -1.847 -3.638 193 1HE LYS 25 2HE LYS 25 7.962 -2.926 -1.929 194 2HE LYS 25 1HE LYS 25 7.616 -4.193 -3.104 195 1HZ LYS 25 1HZ LYS 25 10.301 -4.129 -3.124 196 2HZ LYS 25 2HZ LYS 25 9.378 -5.188 -2.183 197 3HZ LYS 25 3HZ LYS 25 9.980 -3.761 -1.504 198 H VAL 26 H VAL 26 4.508 0.311 -3.404 199 HA VAL 26 HA VAL 26 4.072 1.927 -5.780 200 HB VAL 26 HB VAL 26 4.162 3.106 -3.042 201 1HG1 VAL 26 1HG1 VAL 26 2.411 4.504 -3.893 202 2HG1 VAL 26 2HG1 VAL 26 2.242 3.495 -5.329 203 3HG1 VAL 26 3HG1 VAL 26 3.710 4.444 -5.085 204 1HG2 VAL 26 1HG2 VAL 26 2.897 1.300 -2.387 205 2HG2 VAL 26 2HG2 VAL 26 2.194 1.072 -3.988 206 3HG2 VAL 26 3HG2 VAL 26 1.644 2.399 -2.962 207 H ASN 27 H ASN 27 6.534 1.199 -3.504 208 HA ASN 27 HA ASN 27 8.320 3.122 -4.799 209 1HB ASN 27 2HB ASN 27 8.790 2.725 -1.935 210 2HB ASN 27 1HB ASN 27 8.943 4.179 -2.904 211 1HD2 ASN 27 1HD2 ASN 27 7.862 4.254 -0.386 212 2HD2 ASN 27 2HD2 ASN 27 6.175 4.613 -0.492 213 H TRP 28 H TRP 28 9.308 1.459 -1.963 214 HA TRP 28 HA TRP 28 10.488 -0.731 -3.486 215 1HB TRP 28 2HB TRP 28 12.676 -0.239 -3.027 216 2HB TRP 28 1HB TRP 28 12.038 1.401 -3.089 217 HD1 TRP 28 HD1 TRP 28 10.714 1.487 -0.186 218 HE1 TRP 28 HE1 TRP 28 12.238 1.602 1.885 219 HE3 TRP 28 HE3 TRP 28 15.020 -0.345 -2.244 220 HZ2 TRP 28 HZ2 TRP 28 14.910 0.992 2.558 221 HZ3 TRP 28 HZ3 TRP 28 17.015 -0.549 -0.818 222 HH2 TRP 28 HH2 TRP 28 16.960 0.107 1.533 223 H TRP 29 H TRP 29 9.240 0.595 -0.586 224 HA TRP 29 HA TRP 29 9.461 -2.038 0.705 225 1HB TRP 29 2HB TRP 29 10.215 -1.180 2.685 226 2HB TRP 29 1HB TRP 29 10.910 0.021 1.602 227 HD1 TRP 29 HD1 TRP 29 7.737 -0.431 3.786 228 HE1 TRP 29 HE1 TRP 29 7.022 1.892 4.633 229 HE3 TRP 29 HE3 TRP 29 11.193 2.429 1.334 230 HZ2 TRP 29 HZ2 TRP 29 7.818 4.581 4.306 231 HZ3 TRP 29 HZ3 TRP 29 11.148 4.868 1.654 232 HH2 TRP 29 HH2 TRP 29 9.493 5.920 3.109 233 H ASP 30 H ASP 30 7.641 0.911 0.212 234 HA ASP 30 HA ASP 30 5.385 -0.078 1.760 235 1HB ASP 30 2HB ASP 30 6.333 2.458 1.230 236 2HB ASP 30 1HB ASP 30 4.934 2.333 0.166 237 H HIS 31 H HIS 31 3.819 -1.265 0.908 238 HA HIS 31 HA HIS 31 3.561 -1.378 -2.009 239 1HB HIS 31 2HB HIS 31 3.048 -3.299 0.209 240 2HB HIS 31 1HB HIS 31 2.055 -3.427 -1.233 241 HD1 HIS 31 HD1 HIS 31 5.654 -3.645 -0.128 242 HD2 HIS 31 HD2 HIS 31 3.272 -4.613 -3.388 243 HE1 HIS 31 HE1 HIS 31 7.115 -5.028 -1.639 244 HE2 HIS 31 HE2 HIS 31 5.683 -5.513 -3.655 245 H LYS 32 H LYS 32 2.009 -0.142 -2.838 246 HA LYS 32 HA LYS 32 -0.629 -0.141 -1.596 247 1HB LYS 32 2HB LYS 32 0.549 2.468 -2.511 248 2HB LYS 32 1HB LYS 32 -0.854 2.192 -1.489 249 1HG LYS 32 2HG LYS 32 0.652 1.370 0.291 250 2HG LYS 32 1HG LYS 32 2.030 1.781 -0.733 251 1HD LYS 32 2HD LYS 32 0.691 4.115 -0.792 252 2HD LYS 32 1HD LYS 32 0.213 3.530 0.803 253 1HE LYS 32 2HE LYS 32 2.129 4.542 1.436 254 2HE LYS 32 1HE LYS 32 2.849 3.025 0.901 255 1HZ LYS 32 1HZ LYS 32 2.483 5.167 -1.065 256 2HZ LYS 32 2HZ LYS 32 3.681 3.977 -0.980 257 3HZ LYS 32 3HZ LYS 32 3.744 5.314 0.053 258 H CYS 33 H CYS 33 -1.340 2.122 -3.386 259 HA CYS 33 HA CYS 33 -1.598 0.572 -5.861 260 1HB CYS 33 2HB CYS 33 -3.313 2.603 -4.483 261 2HB CYS 33 1HB CYS 33 -3.494 2.322 -6.206 262 H ILE 34 H ILE 34 -0.604 1.280 -7.645 263 HA ILE 34 HA ILE 34 0.259 4.097 -7.732 264 HB ILE 34 HB ILE 34 1.997 2.841 -9.423 265 1HG1 ILE 34 2HG1 ILE 34 1.204 0.624 -8.693 266 2HG1 ILE 34 1HG1 ILE 34 2.887 0.888 -8.248 267 1HG2 ILE 34 1HG2 ILE 34 3.274 4.132 -8.146 268 2HG2 ILE 34 2HG2 ILE 34 3.260 2.867 -6.917 269 3HG2 ILE 34 3HG2 ILE 34 2.052 4.151 -6.874 270 1HD1 ILE 34 1HD1 ILE 34 0.583 0.362 -6.578 271 2HD1 ILE 34 2HD1 ILE 34 1.498 1.772 -6.042 272 3HD1 ILE 34 3HD1 ILE 34 2.302 0.211 -6.219 273 H GLY 35 HN GLY 35 1.365 3.658 -10.426 274 1HA GLY 35 2HA GLY 35 -1.191 3.737 -11.888 275 2HA GLY 35 1HA GLY 35 0.269 4.587 -12.368 Start of MODEL 3 1 HN PCA 1 HN PCA 1 -15.009 -8.593 -5.217 2 HA PCA 1 HA PCA 1 -14.354 -7.935 -2.924 3 1HB PCA 1 1HB PCA 1 -11.579 -7.526 -3.093 4 2HB PCA 1 2HB PCA 1 -12.346 -9.039 -2.529 5 1HG PCA 1 1HG PCA 1 -11.005 -8.473 -5.130 6 2HG PCA 1 2HG PCA 1 -11.426 -10.052 -4.399 7 H GLN 2 H GLN 2 -13.148 -5.855 -2.155 8 HA GLN 2 HA GLN 2 -14.075 -3.723 -3.832 9 1HB GLN 2 2HB GLN 2 -12.744 -2.451 -1.846 10 2HB GLN 2 1HB GLN 2 -14.403 -3.019 -1.709 11 1HG GLN 2 2HG GLN 2 -13.807 -4.851 -0.427 12 2HG GLN 2 1HG GLN 2 -12.128 -4.806 -0.963 13 1HE2 GLN 2 1HE2 GLN 2 -13.119 -1.714 -0.364 14 2HE2 GLN 2 2HE2 GLN 2 -12.542 -1.541 1.257 15 H CYS 3 H CYS 3 -12.879 -2.118 -4.832 16 HA CYS 3 HA CYS 3 -10.381 -2.897 -5.917 17 1HB CYS 3 2HB CYS 3 -10.533 -1.013 -7.241 18 2HB CYS 3 1HB CYS 3 -12.225 -1.235 -6.824 19 H VAL 4 H VAL 4 -9.115 -0.317 -5.904 20 HA VAL 4 HA VAL 4 -8.435 0.300 -3.168 21 HB VAL 4 HB VAL 4 -6.196 -0.613 -4.959 22 1HG1 VAL 4 1HG1 VAL 4 -5.878 0.979 -2.967 23 2HG1 VAL 4 2HG1 VAL 4 -4.828 -0.434 -3.080 24 3HG1 VAL 4 3HG1 VAL 4 -6.197 -0.440 -1.967 25 1HG2 VAL 4 1HG2 VAL 4 -6.176 -2.730 -3.918 26 2HG2 VAL 4 2HG2 VAL 4 -7.848 -2.450 -4.408 27 3HG2 VAL 4 3HG2 VAL 4 -7.375 -2.236 -2.723 28 H LYS 5 H LYS 5 -8.089 2.394 -3.039 29 HA LYS 5 HA LYS 5 -7.951 3.987 -5.416 30 1HB LYS 5 2HB LYS 5 -8.870 4.372 -2.811 31 2HB LYS 5 1HB LYS 5 -7.503 5.462 -2.980 32 1HG LYS 5 2HG LYS 5 -8.517 6.712 -4.617 33 2HG LYS 5 1HG LYS 5 -9.573 5.389 -5.118 34 1HD LYS 5 2HD LYS 5 -10.169 5.979 -2.414 35 2HD LYS 5 1HD LYS 5 -10.105 7.511 -3.289 36 1HE LYS 5 2HE LYS 5 -12.204 5.648 -3.235 37 2HE LYS 5 1HE LYS 5 -12.077 7.103 -4.222 38 1HZ LYS 5 1HZ LYS 5 -12.481 5.123 -5.561 39 2HZ LYS 5 2HZ LYS 5 -11.054 4.420 -4.985 40 3HZ LYS 5 3HZ LYS 5 -10.984 5.816 -5.938 41 H LYS 6 H LYS 6 -6.368 5.700 -5.743 42 HA LYS 6 HA LYS 6 -3.722 4.733 -5.677 43 1HB LYS 6 2HB LYS 6 -4.516 6.314 -7.376 44 2HB LYS 6 1HB LYS 6 -4.731 7.547 -6.141 45 1HG LYS 6 2HG LYS 6 -2.634 8.198 -6.392 46 2HG LYS 6 1HG LYS 6 -2.057 6.577 -6.001 47 1HD LYS 6 2HD LYS 6 -1.377 6.350 -8.104 48 2HD LYS 6 1HD LYS 6 -3.057 6.466 -8.633 49 1HE LYS 6 2HE LYS 6 -1.424 8.103 -9.673 50 2HE LYS 6 1HE LYS 6 -2.895 8.787 -8.983 51 1HZ LYS 6 1HZ LYS 6 -0.156 9.193 -8.220 52 2HZ LYS 6 2HZ LYS 6 -1.157 8.829 -6.905 53 3HZ LYS 6 3HZ LYS 6 -1.518 10.146 -7.904 54 H ASP 7 H ASP 7 -2.044 5.094 -4.307 55 HA ASP 7 HA ASP 7 -0.846 6.003 -2.553 56 1HB ASP 7 2HB ASP 7 -3.291 7.570 -1.737 57 2HB ASP 7 1HB ASP 7 -1.607 7.897 -1.340 58 H GLU 8 H GLU 8 -3.542 4.160 -2.581 59 HA GLU 8 HA GLU 8 -3.728 3.734 0.293 60 1HB GLU 8 2HB GLU 8 -5.233 2.677 -2.089 61 2HB GLU 8 1HB GLU 8 -5.392 1.919 -0.511 62 1HG GLU 8 2HG GLU 8 -5.740 4.843 -0.581 63 2HG GLU 8 1HG GLU 8 -6.982 3.889 -1.391 64 H LEU 9 H LEU 9 -3.343 1.667 1.261 65 HA LEU 9 HA LEU 9 -1.005 0.393 0.232 66 1HB LEU 9 2HB LEU 9 -2.756 -0.180 2.615 67 2HB LEU 9 1HB LEU 9 -1.266 -1.033 2.267 68 HG LEU 9 HG LEU 9 -1.665 1.511 3.578 69 1HD1 LEU 9 1HD1 LEU 9 1.045 0.452 3.329 70 2HD1 LEU 9 2HD1 LEU 9 -0.136 -0.723 3.908 71 3HD1 LEU 9 3HD1 LEU 9 0.086 0.801 4.768 72 1HD2 LEU 9 1HD2 LEU 9 0.382 2.563 2.498 73 2HD2 LEU 9 2HD2 LEU 9 -1.126 2.637 1.585 74 3HD2 LEU 9 3HD2 LEU 9 0.109 1.453 1.154 75 H CYS 10 H CYS 10 -0.792 -1.918 -0.097 76 HA CYS 10 HA CYS 10 -3.018 -3.628 -0.441 77 1HB CYS 10 2HB CYS 10 -3.101 -1.919 -2.431 78 2HB CYS 10 1HB CYS 10 -1.791 -2.904 -3.074 79 H ILE 11 H ILE 11 -2.215 -5.507 -2.095 80 HA ILE 11 HA ILE 11 0.633 -5.963 -1.712 81 HB ILE 11 HB ILE 11 -1.147 -8.234 -1.030 82 1HG1 ILE 11 2HG1 ILE 11 -0.482 -6.014 0.915 83 2HG1 ILE 11 1HG1 ILE 11 -2.085 -6.370 0.279 84 1HG2 ILE 11 1HG2 ILE 11 0.914 -9.052 -0.740 85 2HG2 ILE 11 2HG2 ILE 11 0.950 -8.110 0.751 86 3HG2 ILE 11 3HG2 ILE 11 1.637 -7.444 -0.730 87 1HD1 ILE 11 1HD1 ILE 11 -0.538 -7.716 2.386 88 2HD1 ILE 11 2HD1 ILE 11 -1.457 -8.766 1.307 89 3HD1 ILE 11 3HD1 ILE 11 -2.280 -7.495 2.212 90 HA PRO 12 HA PRO 12 -0.119 -7.279 -5.940 91 1HB PRO 12 2HB PRO 12 2.731 -8.048 -5.746 92 2HB PRO 12 1HB PRO 12 1.933 -6.978 -6.902 93 1HG PRO 12 2HG PRO 12 3.523 -6.014 -4.976 94 2HG PRO 12 1HG PRO 12 2.071 -5.146 -5.502 95 1HD PRO 12 2HD PRO 12 2.506 -6.804 -3.051 96 2HD PRO 12 1HD PRO 12 1.597 -5.290 -3.242 97 H TYR 13 H TYR 13 -0.259 -9.016 -3.394 98 HA TYR 13 HA TYR 13 -0.361 -11.538 -4.800 99 1HB TYR 13 2HB TYR 13 1.655 -10.975 -2.651 100 2HB TYR 13 1HB TYR 13 0.982 -12.593 -2.817 101 HD1 TYR 13 HD1 TYR 13 0.761 -12.782 -5.776 102 HD2 TYR 13 HD2 TYR 13 3.877 -11.240 -3.323 103 HE1 TYR 13 HE1 TYR 13 2.393 -13.281 -7.545 104 HE2 TYR 13 HE2 TYR 13 5.518 -11.735 -5.086 105 HH TYR 13 HH TYR 13 4.567 -12.679 -8.270 106 H TYR 14 H TYR 14 -2.128 -9.628 -3.350 107 HA TYR 14 HA TYR 14 -3.556 -11.615 -1.805 108 1HB TYR 14 2HB TYR 14 -1.955 -9.583 -0.529 109 2HB TYR 14 1HB TYR 14 -3.655 -9.359 -0.132 110 HD1 TYR 14 HD1 TYR 14 -0.913 -10.555 1.286 111 HD2 TYR 14 HD2 TYR 14 -4.706 -12.036 0.061 112 HE1 TYR 14 HE1 TYR 14 -0.747 -12.345 2.962 113 HE2 TYR 14 HE2 TYR 14 -4.554 -13.830 1.734 114 HH TYR 14 HH TYR 14 -3.432 -14.527 3.593 115 H LEU 15 H LEU 15 -3.360 -8.393 -3.178 116 HA LEU 15 HA LEU 15 -6.187 -8.512 -3.822 117 1HB LEU 15 2HB LEU 15 -5.629 -5.885 -2.772 118 2HB LEU 15 1HB LEU 15 -6.932 -6.990 -2.376 119 HG LEU 15 HG LEU 15 -5.074 -8.178 -0.947 120 1HD1 LEU 15 1HD1 LEU 15 -3.766 -5.776 -1.826 121 2HD1 LEU 15 2HD1 LEU 15 -3.119 -7.134 -0.907 122 3HD1 LEU 15 3HD1 LEU 15 -3.909 -5.799 -0.069 123 1HD2 LEU 15 1HD2 LEU 15 -6.136 -7.329 0.854 124 2HD2 LEU 15 2HD2 LEU 15 -7.215 -6.668 -0.372 125 3HD2 LEU 15 3HD2 LEU 15 -5.943 -5.661 0.317 126 H ASP 16 H ASP 16 -6.766 -6.262 -4.928 127 HA ASP 16 HA ASP 16 -4.530 -5.374 -6.603 128 1HB ASP 16 2HB ASP 16 -7.169 -5.862 -7.918 129 2HB ASP 16 1HB ASP 16 -5.552 -5.867 -8.617 130 H CYS 17 H CYS 17 -5.022 -3.353 -7.782 131 HA CYS 17 HA CYS 17 -6.601 -1.597 -6.095 132 1HB CYS 17 2HB CYS 17 -4.665 -1.076 -8.353 133 2HB CYS 17 1HB CYS 17 -5.567 0.192 -7.542 134 H CYS 18 H CYS 18 -7.907 0.138 -7.210 135 HA CYS 18 HA CYS 18 -10.013 -1.009 -8.622 136 1HB CYS 18 2HB CYS 18 -9.501 1.894 -9.001 137 2HB CYS 18 1HB CYS 18 -10.993 1.053 -8.589 138 H GLU 19 H GLU 19 -8.829 1.797 -10.224 139 HA GLU 19 HA GLU 19 -7.346 0.679 -12.306 140 1HB GLU 19 2HB GLU 19 -9.054 -0.540 -13.231 141 2HB GLU 19 1HB GLU 19 -10.300 0.542 -12.625 142 1HG GLU 19 2HG GLU 19 -8.593 1.819 -14.592 143 2HG GLU 19 1HG GLU 19 -9.388 0.375 -15.220 144 HA PRO 20 HA PRO 20 -6.823 1.081 -14.277 145 1HB PRO 20 2HB PRO 20 -4.816 2.350 -15.505 146 2HB PRO 20 1HB PRO 20 -6.483 2.508 -16.069 147 1HG PRO 20 2HG PRO 20 -4.847 4.402 -14.437 148 2HG PRO 20 1HG PRO 20 -5.982 4.749 -15.752 149 1HD PRO 20 2HD PRO 20 -6.569 4.956 -13.053 150 2HD PRO 20 1HD PRO 20 -7.774 4.770 -14.343 151 H LEU 21 H LEU 21 -5.817 2.866 -11.672 152 HA LEU 21 HA LEU 21 -3.154 2.523 -11.276 153 1HB LEU 21 2HB LEU 21 -5.132 1.818 -9.123 154 2HB LEU 21 1HB LEU 21 -3.546 2.546 -8.941 155 HG LEU 21 HG LEU 21 -5.709 4.005 -10.416 156 1HD1 LEU 21 1HD1 LEU 21 -6.097 5.146 -8.147 157 2HD1 LEU 21 2HD1 LEU 21 -5.410 3.677 -7.454 158 3HD1 LEU 21 3HD1 LEU 21 -6.867 3.586 -8.442 159 1HD2 LEU 21 1HD2 LEU 21 -4.457 5.934 -9.854 160 2HD2 LEU 21 2HD2 LEU 21 -3.291 4.733 -10.409 161 3HD2 LEU 21 3HD2 LEU 21 -3.480 5.046 -8.684 162 H GLU 22 H GLU 22 -2.139 0.895 -9.671 163 HA GLU 22 HA GLU 22 -3.045 -1.837 -10.243 164 1HB GLU 22 2HB GLU 22 -0.767 -0.608 -11.399 165 2HB GLU 22 1HB GLU 22 -0.182 -1.782 -10.228 166 1HG GLU 22 2HG GLU 22 -1.122 -3.568 -11.351 167 2HG GLU 22 1HG GLU 22 -2.292 -2.555 -12.194 168 H CYS 23 H CYS 23 -3.181 -3.002 -8.454 169 HA CYS 23 HA CYS 23 -2.312 -2.001 -5.936 170 1HB CYS 23 2HB CYS 23 -4.242 -3.280 -5.779 171 2HB CYS 23 1HB CYS 23 -3.649 -4.502 -6.896 172 H LYS 24 H LYS 24 -0.030 -1.763 -6.215 173 HA LYS 24 HA LYS 24 1.410 -4.199 -5.572 174 1HB LYS 24 2HB LYS 24 3.193 -3.324 -7.349 175 2HB LYS 24 1HB LYS 24 1.926 -4.467 -7.774 176 1HG LYS 24 2HG LYS 24 1.268 -3.074 -9.357 177 2HG LYS 24 1HG LYS 24 0.807 -1.919 -8.104 178 1HD LYS 24 2HD LYS 24 2.465 -1.185 -9.959 179 2HD LYS 24 1HD LYS 24 2.792 -0.736 -8.284 180 1HE LYS 24 2HE LYS 24 3.894 -3.331 -9.079 181 2HE LYS 24 1HE LYS 24 4.565 -1.959 -9.960 182 1HZ LYS 24 1HZ LYS 24 5.652 -2.675 -7.761 183 2HZ LYS 24 2HZ LYS 24 4.354 -1.882 -7.021 184 3HZ LYS 24 3HZ LYS 24 5.400 -1.024 -8.037 185 H LYS 25 H LYS 25 3.974 -3.345 -5.718 186 HA LYS 25 HA LYS 25 4.189 -1.646 -3.448 187 1HB LYS 25 2HB LYS 25 5.821 -3.393 -3.823 188 2HB LYS 25 1HB LYS 25 6.274 -2.689 -5.370 189 1HG LYS 25 2HG LYS 25 7.700 -1.268 -4.420 190 2HG LYS 25 1HG LYS 25 6.541 -0.809 -3.169 191 1HD LYS 25 2HD LYS 25 8.700 -1.954 -2.414 192 2HD LYS 25 1HD LYS 25 7.181 -2.581 -1.770 193 1HE LYS 25 2HE LYS 25 8.383 -4.492 -2.382 194 2HE LYS 25 1HE LYS 25 7.253 -4.242 -3.711 195 1HZ LYS 25 1HZ LYS 25 9.324 -4.693 -4.690 196 2HZ LYS 25 2HZ LYS 25 10.152 -3.644 -3.653 197 3HZ LYS 25 3HZ LYS 25 9.124 -3.020 -4.842 198 H VAL 26 H VAL 26 4.457 0.470 -3.291 199 HA VAL 26 HA VAL 26 4.454 2.074 -5.716 200 HB VAL 26 HB VAL 26 4.539 3.329 -3.021 201 1HG1 VAL 26 1HG1 VAL 26 2.410 4.210 -4.678 202 2HG1 VAL 26 2HG1 VAL 26 3.862 4.068 -5.670 203 3HG1 VAL 26 3HG1 VAL 26 3.879 5.071 -4.219 204 1HG2 VAL 26 1HG2 VAL 26 2.912 2.027 -2.213 205 2HG2 VAL 26 2HG2 VAL 26 2.578 1.316 -3.791 206 3HG2 VAL 26 3HG2 VAL 26 1.854 2.862 -3.351 207 H ASN 27 H ASN 27 6.591 0.991 -3.276 208 HA ASN 27 HA ASN 27 8.764 2.557 -4.444 209 1HB ASN 27 2HB ASN 27 9.146 2.305 -1.609 210 2HB ASN 27 1HB ASN 27 9.180 3.750 -2.608 211 1HD2 ASN 27 1HD2 ASN 27 6.631 1.451 -1.719 212 2HD2 ASN 27 2HD2 ASN 27 5.540 2.638 -1.100 213 H TRP 28 H TRP 28 9.529 1.098 -1.514 214 HA TRP 28 HA TRP 28 10.364 -1.393 -2.815 215 1HB TRP 28 2HB TRP 28 12.555 -1.187 -2.202 216 2HB TRP 28 1HB TRP 28 12.167 0.524 -2.342 217 HD1 TRP 28 HD1 TRP 28 10.692 0.965 0.418 218 HE1 TRP 28 HE1 TRP 28 12.035 0.882 2.613 219 HE3 TRP 28 HE3 TRP 28 14.728 -1.725 -1.200 220 HZ2 TRP 28 HZ2 TRP 28 14.481 -0.182 3.536 221 HZ3 TRP 28 HZ3 TRP 28 16.526 -2.232 0.402 222 HH2 TRP 28 HH2 TRP 28 16.403 -1.475 2.719 223 H TRP 29 H TRP 29 9.081 0.251 -0.107 224 HA TRP 29 HA TRP 29 8.760 -2.316 1.290 225 1HB TRP 29 2HB TRP 29 9.538 -1.535 3.282 226 2HB TRP 29 1HB TRP 29 10.468 -0.468 2.235 227 HD1 TRP 29 HD1 TRP 29 7.139 -0.413 4.223 228 HE1 TRP 29 HE1 TRP 29 6.722 2.005 5.001 229 HE3 TRP 29 HE3 TRP 29 11.111 1.867 1.950 230 HZ2 TRP 29 HZ2 TRP 29 7.920 4.543 4.692 231 HZ3 TRP 29 HZ3 TRP 29 11.403 4.293 2.241 232 HH2 TRP 29 HH2 TRP 29 9.839 5.602 3.584 233 H ASP 30 H ASP 30 7.514 0.827 0.459 234 HA ASP 30 HA ASP 30 5.019 0.360 1.891 235 1HB ASP 30 2HB ASP 30 6.373 2.646 1.466 236 2HB ASP 30 1HB ASP 30 5.300 2.689 0.070 237 H HIS 31 H HIS 31 3.678 -1.032 0.921 238 HA HIS 31 HA HIS 31 3.466 -1.058 -1.990 239 1HB HIS 31 2HB HIS 31 2.763 -2.941 0.207 240 2HB HIS 31 1HB HIS 31 1.807 -3.014 -1.266 241 HD1 HIS 31 HD1 HIS 31 5.409 -3.299 -0.135 242 HD2 HIS 31 HD2 HIS 31 2.963 -4.411 -3.303 243 HE1 HIS 31 HE1 HIS 31 6.820 -4.801 -1.576 244 HE2 HIS 31 HE2 HIS 31 5.348 -5.382 -3.538 245 H LYS 32 H LYS 32 1.947 0.111 -2.967 246 HA LYS 32 HA LYS 32 -0.684 0.365 -1.748 247 1HB LYS 32 2HB LYS 32 0.881 2.757 -2.729 248 2HB LYS 32 1HB LYS 32 -0.761 2.773 -2.103 249 1HG LYS 32 2HG LYS 32 0.174 1.905 0.064 250 2HG LYS 32 1HG LYS 32 1.779 2.218 -0.598 251 1HD LYS 32 2HD LYS 32 -0.414 4.260 -0.228 252 2HD LYS 32 1HD LYS 32 1.013 4.078 0.795 253 1HE LYS 32 2HE LYS 32 1.483 5.858 -0.691 254 2HE LYS 32 1HE LYS 32 2.399 4.469 -1.277 255 1HZ LYS 32 1HZ LYS 32 0.921 5.957 -2.864 256 2HZ LYS 32 2HZ LYS 32 -0.274 4.863 -2.380 257 3HZ LYS 32 3HZ LYS 32 1.135 4.300 -3.129 258 H CYS 33 H CYS 33 -1.406 2.423 -3.654 259 HA CYS 33 HA CYS 33 -1.731 0.721 -6.011 260 1HB CYS 33 2HB CYS 33 -3.270 3.007 -4.834 261 2HB CYS 33 1HB CYS 33 -3.490 2.566 -6.520 262 H ILE 34 H ILE 34 -1.057 1.332 -8.017 263 HA ILE 34 HA ILE 34 0.246 3.962 -8.265 264 HB ILE 34 HB ILE 34 1.584 2.389 -10.078 265 1HG1 ILE 34 2HG1 ILE 34 0.591 0.360 -9.066 266 2HG1 ILE 34 1HG1 ILE 34 2.342 0.406 -8.884 267 1HG2 ILE 34 1HG2 ILE 34 2.134 3.924 -7.772 268 2HG2 ILE 34 2HG2 ILE 34 3.241 3.454 -9.063 269 3HG2 ILE 34 3HG2 ILE 34 3.057 2.427 -7.640 270 1HD1 ILE 34 1HD1 ILE 34 1.879 -0.147 -6.767 271 2HD1 ILE 34 2HD1 ILE 34 0.227 0.462 -6.858 272 3HD1 ILE 34 3HD1 ILE 34 1.563 1.577 -6.577 273 H GLY 35 HN GLY 35 0.977 3.624 -10.981 274 1HA GLY 35 2HA GLY 35 -1.303 2.888 -12.546 275 2HA GLY 35 1HA GLY 35 -1.193 4.629 -12.332 Start of MODEL 4 1 HN PCA 1 HN PCA 1 -14.061 -8.403 -5.980 2 HA PCA 1 HA PCA 1 -13.548 -8.105 -3.561 3 1HB PCA 1 1HB PCA 1 -10.714 -7.836 -3.597 4 2HB PCA 1 2HB PCA 1 -11.619 -9.292 -3.089 5 1HG PCA 1 1HG PCA 1 -10.064 -8.881 -5.550 6 2HG PCA 1 2HG PCA 1 -10.865 -10.377 -4.980 7 H GLN 2 H GLN 2 -13.927 -6.080 -2.955 8 HA GLN 2 HA GLN 2 -14.109 -3.848 -4.306 9 1HB GLN 2 2HB GLN 2 -12.800 -2.847 -2.065 10 2HB GLN 2 1HB GLN 2 -14.524 -3.152 -2.223 11 1HG GLN 2 2HG GLN 2 -12.550 -5.209 -1.272 12 2HG GLN 2 1HG GLN 2 -13.444 -4.135 -0.197 13 1HE2 GLN 2 1HE2 GLN 2 -15.914 -4.087 -1.234 14 2HE2 GLN 2 2HE2 GLN 2 -16.620 -5.663 -1.222 15 H CYS 3 H CYS 3 -12.926 -2.293 -5.294 16 HA CYS 3 HA CYS 3 -10.326 -2.885 -6.185 17 1HB CYS 3 2HB CYS 3 -10.461 -0.944 -7.430 18 2HB CYS 3 1HB CYS 3 -12.168 -1.255 -7.147 19 H VAL 4 H VAL 4 -9.141 -0.302 -6.001 20 HA VAL 4 HA VAL 4 -8.679 0.297 -3.220 21 HB VAL 4 HB VAL 4 -6.307 -0.606 -4.840 22 1HG1 VAL 4 1HG1 VAL 4 -6.689 0.001 -1.913 23 2HG1 VAL 4 2HG1 VAL 4 -5.794 0.971 -3.082 24 3HG1 VAL 4 3HG1 VAL 4 -5.207 -0.629 -2.631 25 1HG2 VAL 4 1HG2 VAL 4 -8.233 -2.315 -3.954 26 2HG2 VAL 4 2HG2 VAL 4 -7.125 -2.279 -2.582 27 3HG2 VAL 4 3HG2 VAL 4 -6.536 -2.738 -4.180 28 H LYS 5 H LYS 5 -8.370 2.404 -3.071 29 HA LYS 5 HA LYS 5 -8.081 3.990 -5.436 30 1HB LYS 5 2HB LYS 5 -9.159 4.372 -2.884 31 2HB LYS 5 1HB LYS 5 -7.807 5.486 -2.992 32 1HG LYS 5 2HG LYS 5 -9.249 5.650 -5.421 33 2HG LYS 5 1HG LYS 5 -10.404 5.744 -4.089 34 1HD LYS 5 2HD LYS 5 -7.891 7.399 -4.213 35 2HD LYS 5 1HD LYS 5 -9.438 7.945 -4.864 36 1HE LYS 5 2HE LYS 5 -8.683 8.533 -2.400 37 2HE LYS 5 1HE LYS 5 -10.370 8.214 -2.802 38 1HZ LYS 5 1HZ LYS 5 -9.933 5.856 -2.146 39 2HZ LYS 5 2HZ LYS 5 -9.859 6.969 -0.875 40 3HZ LYS 5 3HZ LYS 5 -8.432 6.356 -1.545 41 H LYS 6 H LYS 6 -6.435 5.508 -5.872 42 HA LYS 6 HA LYS 6 -3.812 4.606 -5.443 43 1HB LYS 6 2HB LYS 6 -4.180 5.931 -7.364 44 2HB LYS 6 1HB LYS 6 -4.947 7.211 -6.435 45 1HG LYS 6 2HG LYS 6 -2.998 8.264 -6.444 46 2HG LYS 6 1HG LYS 6 -2.385 7.002 -5.372 47 1HD LYS 6 2HD LYS 6 -1.420 5.810 -7.130 48 2HD LYS 6 1HD LYS 6 -2.415 6.616 -8.345 49 1HE LYS 6 2HE LYS 6 -1.130 8.747 -7.386 50 2HE LYS 6 1HE LYS 6 0.079 7.517 -7.020 51 1HZ LYS 6 1HZ LYS 6 -0.999 7.300 -9.673 52 2HZ LYS 6 2HZ LYS 6 0.612 7.318 -9.162 53 3HZ LYS 6 3HZ LYS 6 -0.215 8.774 -9.400 54 H ASP 7 H ASP 7 -2.191 5.259 -4.073 55 HA ASP 7 HA ASP 7 -1.177 6.492 -2.379 56 1HB ASP 7 2HB ASP 7 -2.743 8.386 -2.856 57 2HB ASP 7 1HB ASP 7 -3.921 7.627 -1.788 58 H GLU 8 H GLU 8 -3.894 4.466 -2.256 59 HA GLU 8 HA GLU 8 -3.680 3.949 0.599 60 1HB GLU 8 2HB GLU 8 -5.563 3.153 -1.571 61 2HB GLU 8 1HB GLU 8 -5.425 2.098 -0.171 62 1HG GLU 8 2HG GLU 8 -5.685 4.816 0.687 63 2HG GLU 8 1HG GLU 8 -6.978 4.414 -0.441 64 H LEU 9 H LEU 9 -2.973 2.012 1.494 65 HA LEU 9 HA LEU 9 -0.840 0.740 0.213 66 1HB LEU 9 2HB LEU 9 -2.476 0.050 2.634 67 2HB LEU 9 1HB LEU 9 -1.127 -0.938 2.113 68 HG LEU 9 HG LEU 9 -0.968 1.131 3.878 69 1HD1 LEU 9 1HD1 LEU 9 0.686 -0.770 2.879 70 2HD1 LEU 9 2HD1 LEU 9 1.166 0.464 4.043 71 3HD1 LEU 9 3HD1 LEU 9 1.478 0.705 2.325 72 1HD2 LEU 9 1HD2 LEU 9 0.555 2.723 2.423 73 2HD2 LEU 9 2HD2 LEU 9 -1.182 2.987 2.572 74 3HD2 LEU 9 3HD2 LEU 9 -0.530 2.190 1.140 75 H CYS 10 H CYS 10 -0.944 -1.892 0.494 76 HA CYS 10 HA CYS 10 -3.067 -3.433 -0.181 77 1HB CYS 10 2HB CYS 10 -3.067 -1.634 -2.142 78 2HB CYS 10 1HB CYS 10 -1.884 -2.742 -2.827 79 H ILE 11 H ILE 11 -2.381 -5.353 -1.716 80 HA ILE 11 HA ILE 11 0.487 -5.852 -1.423 81 HB ILE 11 HB ILE 11 -1.292 -8.157 -0.933 82 1HG1 ILE 11 2HG1 ILE 11 -0.775 -6.176 1.283 83 2HG1 ILE 11 1HG1 ILE 11 -2.282 -6.216 0.374 84 1HG2 ILE 11 1HG2 ILE 11 1.428 -7.261 -0.297 85 2HG2 ILE 11 2HG2 ILE 11 0.810 -8.884 -0.604 86 3HG2 ILE 11 3HG2 ILE 11 0.626 -8.157 0.993 87 1HD1 ILE 11 1HD1 ILE 11 -1.975 -7.498 2.663 88 2HD1 ILE 11 2HD1 ILE 11 -1.349 -8.749 1.589 89 3HD1 ILE 11 3HD1 ILE 11 -2.985 -8.130 1.363 90 HA PRO 12 HA PRO 12 -0.262 -6.974 -5.700 91 1HB PRO 12 2HB PRO 12 2.327 -7.659 -6.241 92 2HB PRO 12 1HB PRO 12 1.742 -5.992 -6.224 93 1HG PRO 12 2HG PRO 12 3.207 -7.507 -4.100 94 2HG PRO 12 1HG PRO 12 3.434 -5.833 -4.642 95 1HD PRO 12 2HD PRO 12 2.082 -6.440 -2.388 96 2HD PRO 12 1HD PRO 12 1.640 -5.057 -3.410 97 H TYR 13 H TYR 13 -0.390 -8.857 -3.281 98 HA TYR 13 HA TYR 13 -0.354 -11.302 -4.843 99 1HB TYR 13 2HB TYR 13 1.122 -11.233 -2.210 100 2HB TYR 13 1HB TYR 13 1.058 -12.550 -3.376 101 HD1 TYR 13 HD1 TYR 13 2.449 -9.197 -2.713 102 HD2 TYR 13 HD2 TYR 13 2.540 -12.614 -5.246 103 HE1 TYR 13 HE1 TYR 13 4.513 -8.362 -3.755 104 HE2 TYR 13 HE2 TYR 13 4.606 -11.788 -6.295 105 HH TYR 13 HH TYR 13 6.585 -9.731 -5.090 106 H TYR 14 H TYR 14 -2.387 -9.629 -3.649 107 HA TYR 14 HA TYR 14 -3.871 -11.670 -2.286 108 1HB TYR 14 2HB TYR 14 -2.434 -9.690 -0.738 109 2HB TYR 14 1HB TYR 14 -4.168 -9.556 -0.471 110 HD1 TYR 14 HD1 TYR 14 -1.193 -11.567 0.074 111 HD2 TYR 14 HD2 TYR 14 -5.428 -11.461 0.462 112 HE1 TYR 14 HE1 TYR 14 -1.091 -13.463 1.634 113 HE2 TYR 14 HE2 TYR 14 -5.339 -13.355 2.024 114 HH TYR 14 HH TYR 14 -4.037 -14.773 3.131 115 H LEU 15 H LEU 15 -3.834 -8.108 -2.478 116 HA LEU 15 HA LEU 15 -6.579 -8.233 -3.537 117 1HB LEU 15 2HB LEU 15 -5.651 -5.666 -2.463 118 2HB LEU 15 1HB LEU 15 -7.176 -6.498 -2.228 119 HG LEU 15 HG LEU 15 -5.701 -8.077 -0.717 120 1HD1 LEU 15 1HD1 LEU 15 -3.644 -7.392 -0.266 121 2HD1 LEU 15 2HD1 LEU 15 -4.256 -5.830 0.280 122 3HD1 LEU 15 3HD1 LEU 15 -3.850 -6.075 -1.420 123 1HD2 LEU 15 1HD2 LEU 15 -6.439 -5.367 0.341 124 2HD2 LEU 15 2HD2 LEU 15 -6.502 -6.925 1.165 125 3HD2 LEU 15 3HD2 LEU 15 -7.653 -6.560 -0.120 126 H ASP 16 H ASP 16 -7.117 -6.117 -4.776 127 HA ASP 16 HA ASP 16 -4.868 -5.300 -6.472 128 1HB ASP 16 2HB ASP 16 -6.635 -5.412 -8.402 129 2HB ASP 16 1HB ASP 16 -5.779 -6.872 -7.915 130 H CYS 17 H CYS 17 -5.316 -3.318 -7.709 131 HA CYS 17 HA CYS 17 -6.889 -1.480 -6.111 132 1HB CYS 17 2HB CYS 17 -5.059 -0.948 -8.458 133 2HB CYS 17 1HB CYS 17 -5.760 0.258 -7.394 134 H CYS 18 H CYS 18 -8.059 0.289 -7.375 135 HA CYS 18 HA CYS 18 -10.189 -0.871 -8.784 136 1HB CYS 18 2HB CYS 18 -9.622 2.026 -9.146 137 2HB CYS 18 1HB CYS 18 -11.137 1.210 -8.784 138 H GLU 19 H GLU 19 -8.415 1.814 -10.209 139 HA GLU 19 HA GLU 19 -7.070 0.686 -12.276 140 1HB GLU 19 2HB GLU 19 -8.887 -0.520 -13.125 141 2HB GLU 19 1HB GLU 19 -10.017 0.795 -12.831 142 1HG GLU 19 2HG GLU 19 -8.032 1.708 -14.651 143 2HG GLU 19 1HG GLU 19 -8.641 0.150 -15.213 144 HA PRO 20 HA PRO 20 -6.362 1.046 -14.111 145 1HB PRO 20 2HB PRO 20 -4.320 2.268 -15.319 146 2HB PRO 20 1HB PRO 20 -5.967 2.410 -15.948 147 1HG PRO 20 2HG PRO 20 -4.365 4.368 -14.367 148 2HG PRO 20 1HG PRO 20 -5.501 4.659 -15.696 149 1HD PRO 20 2HD PRO 20 -6.070 4.922 -12.972 150 2HD PRO 20 1HD PRO 20 -7.269 4.801 -14.274 151 H LEU 21 H LEU 21 -5.806 2.362 -11.348 152 HA LEU 21 HA LEU 21 -3.058 2.312 -10.836 153 1HB LEU 21 2HB LEU 21 -5.258 1.564 -8.911 154 2HB LEU 21 1HB LEU 21 -3.646 2.113 -8.495 155 HG LEU 21 HG LEU 21 -5.495 3.866 -10.081 156 1HD1 LEU 21 1HD1 LEU 21 -6.534 4.710 -8.201 157 2HD1 LEU 21 2HD1 LEU 21 -5.307 4.071 -7.107 158 3HD1 LEU 21 3HD1 LEU 21 -6.481 2.983 -7.847 159 1HD2 LEU 21 1HD2 LEU 21 -3.232 4.464 -8.180 160 2HD2 LEU 21 2HD2 LEU 21 -4.136 5.637 -9.137 161 3HD2 LEU 21 3HD2 LEU 21 -3.111 4.448 -9.939 162 H GLU 22 H GLU 22 -2.037 0.683 -9.271 163 HA GLU 22 HA GLU 22 -2.827 -2.066 -9.934 164 1HB GLU 22 2HB GLU 22 -0.678 -0.813 -11.129 165 2HB GLU 22 1HB GLU 22 0.069 -1.692 -9.801 166 1HG GLU 22 2HG GLU 22 -0.238 -3.671 -10.779 167 2HG GLU 22 1HG GLU 22 -1.873 -3.268 -11.302 168 H CYS 23 H CYS 23 -3.206 -3.081 -8.091 169 HA CYS 23 HA CYS 23 -2.313 -2.165 -5.565 170 1HB CYS 23 2HB CYS 23 -4.349 -3.370 -5.594 171 2HB CYS 23 1HB CYS 23 -3.642 -4.703 -6.500 172 H LYS 24 H LYS 24 0.007 -2.031 -6.065 173 HA LYS 24 HA LYS 24 1.351 -4.459 -5.207 174 1HB LYS 24 2HB LYS 24 3.082 -4.068 -7.094 175 2HB LYS 24 1HB LYS 24 1.591 -4.920 -7.471 176 1HG LYS 24 2HG LYS 24 1.615 -3.485 -9.219 177 2HG LYS 24 1HG LYS 24 0.783 -2.458 -8.049 178 1HD LYS 24 2HD LYS 24 2.442 -1.078 -8.956 179 2HD LYS 24 1HD LYS 24 3.116 -1.610 -7.414 180 1HE LYS 24 2HE LYS 24 4.856 -1.806 -9.008 181 2HE LYS 24 1HE LYS 24 4.283 -3.443 -8.690 182 1HZ LYS 24 1HZ LYS 24 3.842 -3.686 -10.832 183 2HZ LYS 24 2HZ LYS 24 4.457 -2.142 -11.143 184 3HZ LYS 24 3HZ LYS 24 2.810 -2.345 -10.819 185 H LYS 25 H LYS 25 3.962 -3.646 -5.751 186 HA LYS 25 HA LYS 25 4.451 -1.891 -3.585 187 1HB LYS 25 2HB LYS 25 6.016 -3.665 -4.321 188 2HB LYS 25 1HB LYS 25 6.336 -2.748 -5.787 189 1HG LYS 25 2HG LYS 25 7.069 -0.857 -4.241 190 2HG LYS 25 1HG LYS 25 7.081 -2.076 -2.963 191 1HD LYS 25 2HD LYS 25 8.486 -2.725 -5.496 192 2HD LYS 25 1HD LYS 25 9.232 -1.531 -4.431 193 1HE LYS 25 2HE LYS 25 8.919 -3.225 -2.564 194 2HE LYS 25 1HE LYS 25 8.546 -4.395 -3.828 195 1HZ LYS 25 1HZ LYS 25 11.081 -3.367 -2.996 196 2HZ LYS 25 2HZ LYS 25 10.859 -3.220 -4.666 197 3HZ LYS 25 3HZ LYS 25 10.727 -4.735 -3.928 198 H VAL 26 H VAL 26 4.529 0.243 -3.500 199 HA VAL 26 HA VAL 26 4.239 1.786 -5.947 200 HB VAL 26 HB VAL 26 4.466 3.151 -3.324 201 1HG1 VAL 26 1HG1 VAL 26 2.116 3.652 -4.939 202 2HG1 VAL 26 2HG1 VAL 26 3.604 3.799 -5.875 203 3HG1 VAL 26 3HG1 VAL 26 3.383 4.761 -4.415 204 1HG2 VAL 26 1HG2 VAL 26 2.255 1.233 -4.003 205 2HG2 VAL 26 2HG2 VAL 26 2.021 2.582 -2.892 206 3HG2 VAL 26 3HG2 VAL 26 3.211 1.333 -2.524 207 H ASN 27 H ASN 27 6.621 0.921 -3.636 208 HA ASN 27 HA ASN 27 8.601 2.546 -5.037 209 1HB ASN 27 2HB ASN 27 8.969 2.417 -2.132 210 2HB ASN 27 1HB ASN 27 9.287 3.734 -3.245 211 1HD2 ASN 27 1HD2 ASN 27 7.368 2.705 -0.767 212 2HD2 ASN 27 2HD2 ASN 27 6.034 3.784 -0.976 213 H TRP 28 H TRP 28 9.343 1.110 -2.007 214 HA TRP 28 HA TRP 28 10.300 -1.363 -3.207 215 1HB TRP 28 2HB TRP 28 12.542 -1.044 -2.822 216 2HB TRP 28 1HB TRP 28 12.074 0.618 -3.168 217 HD1 TRP 28 HD1 TRP 28 10.737 1.154 -0.244 218 HE1 TRP 28 HE1 TRP 28 12.312 1.529 1.755 219 HE3 TRP 28 HE3 TRP 28 14.967 -1.003 -2.132 220 HZ2 TRP 28 HZ2 TRP 28 14.997 0.984 2.440 221 HZ3 TRP 28 HZ3 TRP 28 16.996 -1.035 -0.743 222 HH2 TRP 28 HH2 TRP 28 17.010 -0.061 1.497 223 H TRP 29 H TRP 29 9.184 0.471 -0.561 224 HA TRP 29 HA TRP 29 9.317 -1.917 1.157 225 1HB TRP 29 2HB TRP 29 10.091 -0.744 2.955 226 2HB TRP 29 1HB TRP 29 10.794 0.252 1.684 227 HD1 TRP 29 HD1 TRP 29 7.643 0.203 3.940 228 HE1 TRP 29 HE1 TRP 29 6.936 2.640 4.370 229 HE3 TRP 29 HE3 TRP 29 11.066 2.578 0.973 230 HZ2 TRP 29 HZ2 TRP 29 7.725 5.226 3.559 231 HZ3 TRP 29 HZ3 TRP 29 11.019 5.036 0.855 232 HH2 TRP 29 HH2 TRP 29 9.383 6.331 2.123 233 H ASP 30 H ASP 30 7.547 0.955 0.182 234 HA ASP 30 HA ASP 30 5.254 0.136 1.807 235 1HB ASP 30 2HB ASP 30 6.301 2.626 1.253 236 2HB ASP 30 1HB ASP 30 4.918 2.533 0.166 237 H HIS 31 H HIS 31 3.875 -1.231 0.908 238 HA HIS 31 HA HIS 31 3.553 -1.278 -1.995 239 1HB HIS 31 2HB HIS 31 3.015 -3.189 0.229 240 2HB HIS 31 1HB HIS 31 2.030 -3.315 -1.220 241 HD1 HIS 31 HD1 HIS 31 5.642 -3.497 -0.124 242 HD2 HIS 31 HD2 HIS 31 3.234 -4.575 -3.330 243 HE1 HIS 31 HE1 HIS 31 7.097 -4.910 -1.610 244 HE2 HIS 31 HE2 HIS 31 5.599 -5.607 -3.514 245 H LYS 32 H LYS 32 1.971 -0.114 -2.867 246 HA LYS 32 HA LYS 32 -0.628 -0.008 -1.542 247 1HB LYS 32 2HB LYS 32 0.490 2.529 -2.682 248 2HB LYS 32 1HB LYS 32 -0.805 2.314 -1.513 249 1HG LYS 32 2HG LYS 32 0.906 1.561 0.137 250 2HG LYS 32 1HG LYS 32 2.148 1.999 -1.038 251 1HD LYS 32 2HD LYS 32 0.140 4.081 -0.507 252 2HD LYS 32 1HD LYS 32 1.176 3.673 0.863 253 1HE LYS 32 2HE LYS 32 3.107 3.890 -0.847 254 2HE LYS 32 1HE LYS 32 1.929 4.771 -1.820 255 1HZ LYS 32 1HZ LYS 32 2.478 5.497 0.995 256 2HZ LYS 32 2HZ LYS 32 1.738 6.430 -0.205 257 3HZ LYS 32 3HZ LYS 32 3.398 6.120 -0.282 258 H CYS 33 H CYS 33 -1.344 2.173 -3.456 259 HA CYS 33 HA CYS 33 -1.723 0.474 -5.819 260 1HB CYS 33 2HB CYS 33 -3.376 2.564 -4.469 261 2HB CYS 33 1HB CYS 33 -3.593 2.280 -6.187 262 H ILE 34 H ILE 34 -0.741 1.048 -7.651 263 HA ILE 34 HA ILE 34 0.252 3.809 -7.889 264 HB ILE 34 HB ILE 34 1.724 2.527 -9.721 265 1HG1 ILE 34 2HG1 ILE 34 0.657 0.344 -9.151 266 2HG1 ILE 34 1HG1 ILE 34 2.405 0.344 -8.940 267 1HG2 ILE 34 1HG2 ILE 34 3.373 3.238 -8.405 268 2HG2 ILE 34 2HG2 ILE 34 2.921 2.121 -7.116 269 3HG2 ILE 34 3HG2 ILE 34 2.128 3.691 -7.240 270 1HD1 ILE 34 1HD1 ILE 34 1.412 -0.813 -7.108 271 2HD1 ILE 34 2HD1 ILE 34 0.315 0.532 -6.790 272 3HD1 ILE 34 3HD1 ILE 34 2.046 0.722 -6.513 273 H GLY 35 HN GLY 35 0.970 3.613 -10.618 274 1HA GLY 35 2HA GLY 35 -1.028 2.724 -12.342 275 2HA GLY 35 1HA GLY 35 -1.477 4.346 -11.837 Start of MODEL 5 1 HN PCA 1 HN PCA 1 -15.104 -8.489 -4.669 2 HA PCA 1 HA PCA 1 -13.338 -8.039 -2.889 3 1HB PCA 1 1HB PCA 1 -10.993 -8.019 -4.504 4 2HB PCA 1 2HB PCA 1 -11.475 -9.326 -3.382 5 1HG PCA 1 1HG PCA 1 -11.770 -9.181 -6.368 6 2HG PCA 1 2HG PCA 1 -11.662 -10.619 -5.307 7 H GLN 2 H GLN 2 -13.756 -5.951 -2.595 8 HA GLN 2 HA GLN 2 -14.248 -4.020 -4.489 9 1HB GLN 2 2HB GLN 2 -13.116 -2.598 -2.391 10 2HB GLN 2 1HB GLN 2 -14.813 -3.026 -2.567 11 1HG GLN 2 2HG GLN 2 -13.780 -5.300 -1.485 12 2HG GLN 2 1HG GLN 2 -12.791 -4.054 -0.725 13 1HE2 GLN 2 1HE2 GLN 2 -14.333 -5.501 0.886 14 2HE2 GLN 2 2HE2 GLN 2 -15.692 -4.590 1.442 15 H CYS 3 H CYS 3 -13.050 -2.325 -5.395 16 HA CYS 3 HA CYS 3 -10.453 -2.987 -6.268 17 1HB CYS 3 2HB CYS 3 -10.543 -1.056 -7.547 18 2HB CYS 3 1HB CYS 3 -12.254 -1.381 -7.310 19 H VAL 4 H VAL 4 -9.238 -0.406 -6.134 20 HA VAL 4 HA VAL 4 -8.804 0.253 -3.363 21 HB VAL 4 HB VAL 4 -6.418 -0.720 -4.920 22 1HG1 VAL 4 1HG1 VAL 4 -6.680 0.831 -2.617 23 2HG1 VAL 4 2HG1 VAL 4 -5.214 0.060 -3.221 24 3HG1 VAL 4 3HG1 VAL 4 -6.230 -0.775 -2.046 25 1HG2 VAL 4 1HG2 VAL 4 -8.018 -2.573 -4.482 26 2HG2 VAL 4 2HG2 VAL 4 -7.883 -2.223 -2.759 27 3HG2 VAL 4 3HG2 VAL 4 -6.469 -2.765 -3.662 28 H LYS 5 H LYS 5 -8.451 2.355 -3.248 29 HA LYS 5 HA LYS 5 -8.049 3.870 -5.653 30 1HB LYS 5 2HB LYS 5 -9.240 4.319 -3.141 31 2HB LYS 5 1HB LYS 5 -7.932 5.477 -3.294 32 1HG LYS 5 2HG LYS 5 -9.735 5.162 -5.617 33 2HG LYS 5 1HG LYS 5 -10.383 5.964 -4.183 34 1HD LYS 5 2HD LYS 5 -9.316 7.837 -4.722 35 2HD LYS 5 1HD LYS 5 -7.770 6.983 -4.709 36 1HE LYS 5 2HE LYS 5 -8.756 6.155 -7.076 37 2HE LYS 5 1HE LYS 5 -9.500 7.750 -6.972 38 1HZ LYS 5 1HZ LYS 5 -6.652 7.037 -7.122 39 2HZ LYS 5 2HZ LYS 5 -7.104 8.480 -6.365 40 3HZ LYS 5 3HZ LYS 5 -7.510 8.213 -7.985 41 H LYS 6 H LYS 6 -6.366 5.369 -6.026 42 HA LYS 6 HA LYS 6 -3.786 4.475 -5.416 43 1HB LYS 6 2HB LYS 6 -4.149 5.830 -7.368 44 2HB LYS 6 1HB LYS 6 -4.768 7.158 -6.397 45 1HG LYS 6 2HG LYS 6 -2.710 7.994 -6.537 46 2HG LYS 6 1HG LYS 6 -2.272 6.773 -5.341 47 1HD LYS 6 2HD LYS 6 -1.346 5.362 -6.930 48 2HD LYS 6 1HD LYS 6 -2.264 6.087 -8.252 49 1HE LYS 6 2HE LYS 6 -0.776 7.775 -8.540 50 2HE LYS 6 1HE LYS 6 -0.373 7.857 -6.825 51 1HZ LYS 6 1HZ LYS 6 1.289 6.903 -8.628 52 2HZ LYS 6 2HZ LYS 6 0.467 5.468 -8.273 53 3HZ LYS 6 3HZ LYS 6 1.253 6.318 -7.040 54 H ASP 7 H ASP 7 -2.223 5.187 -3.989 55 HA ASP 7 HA ASP 7 -1.325 6.429 -2.238 56 1HB ASP 7 2HB ASP 7 -3.391 8.061 -2.857 57 2HB ASP 7 1HB ASP 7 -3.915 7.486 -1.276 58 H GLU 8 H GLU 8 -3.997 4.338 -2.253 59 HA GLU 8 HA GLU 8 -3.895 3.797 0.605 60 1HB GLU 8 2HB GLU 8 -5.561 2.557 -1.594 61 2HB GLU 8 1HB GLU 8 -5.709 2.179 0.117 62 1HG GLU 8 2HG GLU 8 -6.279 4.553 0.539 63 2HG GLU 8 1HG GLU 8 -6.258 4.825 -1.203 64 H LEU 9 H LEU 9 -3.202 1.862 1.507 65 HA LEU 9 HA LEU 9 -1.049 0.584 0.197 66 1HB LEU 9 2HB LEU 9 -2.543 0.063 2.747 67 2HB LEU 9 1HB LEU 9 -1.264 -1.005 2.205 68 HG LEU 9 HG LEU 9 -0.975 1.256 3.782 69 1HD1 LEU 9 1HD1 LEU 9 1.345 0.227 2.238 70 2HD1 LEU 9 2HD1 LEU 9 0.465 -0.889 3.281 71 3HD1 LEU 9 3HD1 LEU 9 1.193 0.566 3.961 72 1HD2 LEU 9 1HD2 LEU 9 -1.202 2.750 1.914 73 2HD2 LEU 9 2HD2 LEU 9 -0.024 1.828 0.981 74 3HD2 LEU 9 3HD2 LEU 9 0.489 2.718 2.415 75 H CYS 10 H CYS 10 -0.933 -1.901 0.211 76 HA CYS 10 HA CYS 10 -3.184 -3.508 -0.171 77 1HB CYS 10 2HB CYS 10 -3.347 -1.905 -2.184 78 2HB CYS 10 1HB CYS 10 -1.954 -2.775 -2.815 79 H ILE 11 H ILE 11 -2.359 -5.357 -1.974 80 HA ILE 11 HA ILE 11 0.448 -5.897 -1.491 81 HB ILE 11 HB ILE 11 -1.417 -8.125 -0.874 82 1HG1 ILE 11 2HG1 ILE 11 -2.175 -6.107 0.443 83 2HG1 ILE 11 1HG1 ILE 11 -1.685 -7.493 1.411 84 1HG2 ILE 11 1HG2 ILE 11 0.724 -8.051 0.905 85 2HG2 ILE 11 2HG2 ILE 11 1.394 -7.516 -0.636 86 3HG2 ILE 11 3HG2 ILE 11 0.569 -9.072 -0.524 87 1HD1 ILE 11 1HD1 ILE 11 -0.072 -6.341 2.411 88 2HD1 ILE 11 2HD1 ILE 11 -0.835 -4.903 1.730 89 3HD1 ILE 11 3HD1 ILE 11 0.511 -5.672 0.886 90 HA PRO 12 HA PRO 12 -0.165 -7.193 -5.729 91 1HB PRO 12 2HB PRO 12 2.398 -8.126 -6.060 92 2HB PRO 12 1HB PRO 12 1.933 -6.430 -6.221 93 1HG PRO 12 2HG PRO 12 3.174 -7.843 -3.896 94 2HG PRO 12 1HG PRO 12 3.530 -6.234 -4.551 95 1HD PRO 12 2HD PRO 12 2.032 -6.566 -2.341 96 2HD PRO 12 1HD PRO 12 1.704 -5.267 -3.507 97 H TYR 13 H TYR 13 -0.589 -8.931 -3.242 98 HA TYR 13 HA TYR 13 -0.820 -11.419 -4.656 99 1HB TYR 13 2HB TYR 13 0.843 -11.509 -2.148 100 2HB TYR 13 1HB TYR 13 0.630 -12.760 -3.369 101 HD1 TYR 13 HD1 TYR 13 2.424 -9.710 -2.466 102 HD2 TYR 13 HD2 TYR 13 1.862 -12.665 -5.475 103 HE1 TYR 13 HE1 TYR 13 4.488 -8.964 -3.576 104 HE2 TYR 13 HE2 TYR 13 3.926 -11.929 -6.593 105 HH TYR 13 HH TYR 13 6.189 -10.620 -5.600 106 H TYR 14 H TYR 14 -2.412 -9.390 -3.143 107 HA TYR 14 HA TYR 14 -3.916 -11.306 -1.541 108 1HB TYR 14 2HB TYR 14 -2.331 -9.151 -0.419 109 2HB TYR 14 1HB TYR 14 -4.032 -8.981 -0.001 110 HD1 TYR 14 HD1 TYR 14 -5.179 -10.785 1.256 111 HD2 TYR 14 HD2 TYR 14 -0.989 -10.877 0.530 112 HE1 TYR 14 HE1 TYR 14 -4.917 -12.471 3.025 113 HE2 TYR 14 HE2 TYR 14 -0.714 -12.565 2.296 114 HH TYR 14 HH TYR 14 -1.895 -14.124 3.555 115 H LEU 15 H LEU 15 -3.714 -8.049 -2.912 116 HA LEU 15 HA LEU 15 -6.543 -8.234 -3.613 117 1HB LEU 15 2HB LEU 15 -5.862 -5.552 -2.732 118 2HB LEU 15 1HB LEU 15 -7.254 -6.541 -2.337 119 HG LEU 15 HG LEU 15 -5.713 -7.765 -0.703 120 1HD1 LEU 15 1HD1 LEU 15 -3.707 -6.482 -1.853 121 2HD1 LEU 15 2HD1 LEU 15 -3.673 -6.920 -0.146 122 3HD1 LEU 15 3HD1 LEU 15 -4.096 -5.277 -0.625 123 1HD2 LEU 15 1HD2 LEU 15 -6.024 -4.945 0.164 124 2HD2 LEU 15 2HD2 LEU 15 -6.480 -6.440 0.980 125 3HD2 LEU 15 3HD2 LEU 15 -7.472 -5.817 -0.338 126 H ASP 16 H ASP 16 -7.061 -5.967 -4.811 127 HA ASP 16 HA ASP 16 -4.844 -5.275 -6.589 128 1HB ASP 16 2HB ASP 16 -6.823 -5.404 -8.420 129 2HB ASP 16 1HB ASP 16 -5.710 -6.732 -8.109 130 H CYS 17 H CYS 17 -5.199 -3.290 -7.780 131 HA CYS 17 HA CYS 17 -6.829 -1.432 -6.265 132 1HB CYS 17 2HB CYS 17 -4.918 -0.890 -8.541 133 2HB CYS 17 1HB CYS 17 -5.609 0.291 -7.445 134 H CYS 18 H CYS 18 -8.202 0.134 -7.333 135 HA CYS 18 HA CYS 18 -10.152 -0.973 -8.936 136 1HB CYS 18 2HB CYS 18 -9.650 1.941 -9.238 137 2HB CYS 18 1HB CYS 18 -11.154 1.080 -8.931 138 H GLU 19 H GLU 19 -8.293 1.744 -10.196 139 HA GLU 19 HA GLU 19 -6.832 0.779 -12.210 140 1HB GLU 19 2HB GLU 19 -8.786 -0.577 -12.900 141 2HB GLU 19 1HB GLU 19 -9.683 0.905 -13.203 142 1HG GLU 19 2HG GLU 19 -8.216 1.512 -14.985 143 2HG GLU 19 1HG GLU 19 -7.119 0.186 -14.599 144 HA PRO 20 HA PRO 20 -6.207 1.204 -14.182 145 1HB PRO 20 2HB PRO 20 -4.204 2.594 -15.281 146 2HB PRO 20 1HB PRO 20 -5.837 2.646 -15.956 147 1HG PRO 20 2HG PRO 20 -4.433 4.643 -14.233 148 2HG PRO 20 1HG PRO 20 -5.504 4.915 -15.618 149 1HD PRO 20 2HD PRO 20 -6.268 5.086 -12.960 150 2HD PRO 20 1HD PRO 20 -7.376 4.830 -14.321 151 H LEU 21 H LEU 21 -5.792 2.410 -11.354 152 HA LEU 21 HA LEU 21 -3.039 2.454 -10.799 153 1HB LEU 21 2HB LEU 21 -5.235 1.607 -8.912 154 2HB LEU 21 1HB LEU 21 -3.654 2.230 -8.478 155 HG LEU 21 HG LEU 21 -5.530 3.919 -10.090 156 1HD1 LEU 21 1HD1 LEU 21 -6.968 3.406 -8.331 157 2HD1 LEU 21 2HD1 LEU 21 -6.186 4.899 -7.813 158 3HD1 LEU 21 3HD1 LEU 21 -5.658 3.353 -7.150 159 1HD2 LEU 21 1HD2 LEU 21 -3.022 4.383 -9.525 160 2HD2 LEU 21 2HD2 LEU 21 -3.670 4.854 -7.954 161 3HD2 LEU 21 3HD2 LEU 21 -4.213 5.679 -9.415 162 H GLU 22 H GLU 22 -1.986 0.820 -9.276 163 HA GLU 22 HA GLU 22 -2.733 -1.932 -9.967 164 1HB GLU 22 2HB GLU 22 -0.950 -1.171 -11.518 165 2HB GLU 22 1HB GLU 22 0.084 -0.847 -10.133 166 1HG GLU 22 2HG GLU 22 0.351 -3.098 -9.643 167 2HG GLU 22 1HG GLU 22 -1.078 -3.567 -10.562 168 H CYS 23 H CYS 23 -2.983 -3.057 -8.174 169 HA CYS 23 HA CYS 23 -2.082 -2.135 -5.634 170 1HB CYS 23 2HB CYS 23 -4.085 -3.349 -5.564 171 2HB CYS 23 1HB CYS 23 -3.463 -4.618 -6.613 172 H LYS 24 H LYS 24 0.217 -1.968 -6.084 173 HA LYS 24 HA LYS 24 1.596 -4.428 -5.384 174 1HB LYS 24 2HB LYS 24 3.331 -3.789 -7.249 175 2HB LYS 24 1HB LYS 24 1.922 -4.765 -7.638 176 1HG LYS 24 2HG LYS 24 1.632 -3.293 -9.294 177 2HG LYS 24 1HG LYS 24 0.954 -2.260 -8.034 178 1HD LYS 24 2HD LYS 24 2.619 -1.073 -9.392 179 2HD LYS 24 1HD LYS 24 3.121 -1.204 -7.705 180 1HE LYS 24 2HE LYS 24 4.008 -3.139 -9.832 181 2HE LYS 24 1HE LYS 24 4.899 -1.666 -9.450 182 1HZ LYS 24 1HZ LYS 24 4.542 -4.093 -7.842 183 2HZ LYS 24 2HZ LYS 24 4.731 -2.617 -7.038 184 3HZ LYS 24 3HZ LYS 24 5.933 -3.162 -8.095 185 H LYS 25 H LYS 25 4.192 -3.336 -6.084 186 HA LYS 25 HA LYS 25 4.627 -1.772 -3.722 187 1HB LYS 25 2HB LYS 25 6.190 -3.525 -4.805 188 2HB LYS 25 1HB LYS 25 6.674 -2.217 -5.877 189 1HG LYS 25 2HG LYS 25 7.652 -1.001 -4.162 190 2HG LYS 25 1HG LYS 25 6.752 -1.856 -2.909 191 1HD LYS 25 2HD LYS 25 9.254 -2.405 -3.231 192 2HD LYS 25 1HD LYS 25 8.113 -3.739 -3.043 193 1HE LYS 25 2HE LYS 25 8.066 -4.077 -5.440 194 2HE LYS 25 1HE LYS 25 9.112 -2.680 -5.684 195 1HZ LYS 25 1HZ LYS 25 10.819 -3.871 -4.354 196 2HZ LYS 25 2HZ LYS 25 10.438 -4.632 -5.816 197 3HZ LYS 25 3HZ LYS 25 9.822 -5.239 -4.362 198 H VAL 26 H VAL 26 4.573 0.351 -3.532 199 HA VAL 26 HA VAL 26 4.335 2.014 -5.907 200 HB VAL 26 HB VAL 26 4.369 3.254 -3.219 201 1HG1 VAL 26 1HG1 VAL 26 2.379 4.413 -4.185 202 2HG1 VAL 26 2HG1 VAL 26 2.632 3.490 -5.668 203 3HG1 VAL 26 3HG1 VAL 26 3.866 4.621 -5.111 204 1HG2 VAL 26 1HG2 VAL 26 2.538 2.269 -2.332 205 2HG2 VAL 26 2HG2 VAL 26 3.078 0.900 -3.303 206 3HG2 VAL 26 3HG2 VAL 26 1.805 1.961 -3.906 207 H ASN 27 H ASN 27 6.641 1.122 -3.534 208 HA ASN 27 HA ASN 27 8.566 3.021 -4.671 209 1HB ASN 27 2HB ASN 27 7.666 2.837 -1.904 210 2HB ASN 27 1HB ASN 27 9.415 2.789 -2.073 211 1HD2 ASN 27 1HD2 ASN 27 7.193 4.803 -1.239 212 2HD2 ASN 27 2HD2 ASN 27 7.716 6.269 -1.986 213 H TRP 28 H TRP 28 9.535 1.275 -1.932 214 HA TRP 28 HA TRP 28 10.567 -0.973 -3.480 215 1HB TRP 28 2HB TRP 28 12.783 -0.566 -3.095 216 2HB TRP 28 1HB TRP 28 12.222 1.104 -3.084 217 HD1 TRP 28 HD1 TRP 28 10.981 1.136 -0.142 218 HE1 TRP 28 HE1 TRP 28 12.562 1.112 1.887 219 HE3 TRP 28 HE3 TRP 28 15.150 -0.790 -2.387 220 HZ2 TRP 28 HZ2 TRP 28 15.226 0.374 2.461 221 HZ3 TRP 28 HZ3 TRP 28 17.173 -1.125 -1.027 222 HH2 TRP 28 HH2 TRP 28 17.209 -0.553 1.347 223 H TRP 29 H TRP 29 9.294 0.383 -0.666 224 HA TRP 29 HA TRP 29 9.403 -2.218 0.686 225 1HB TRP 29 2HB TRP 29 10.244 -1.403 2.651 226 2HB TRP 29 1HB TRP 29 11.016 -0.263 1.552 227 HD1 TRP 29 HD1 TRP 29 7.847 -0.466 3.774 228 HE1 TRP 29 HE1 TRP 29 7.308 1.910 4.607 229 HE3 TRP 29 HE3 TRP 29 11.463 2.122 1.249 230 HZ2 TRP 29 HZ2 TRP 29 8.288 4.531 4.242 231 HZ3 TRP 29 HZ3 TRP 29 11.592 4.558 1.546 232 HH2 TRP 29 HH2 TRP 29 10.037 5.739 3.012 233 H ASP 30 H ASP 30 7.814 0.824 0.090 234 HA ASP 30 HA ASP 30 5.498 0.103 1.699 235 1HB ASP 30 2HB ASP 30 6.645 2.523 1.011 236 2HB ASP 30 1HB ASP 30 5.222 2.450 -0.023 237 H HIS 31 H HIS 31 4.021 -1.219 0.872 238 HA HIS 31 HA HIS 31 3.651 -1.314 -2.032 239 1HB HIS 31 2HB HIS 31 3.261 -3.241 0.197 240 2HB HIS 31 1HB HIS 31 2.173 -3.371 -1.179 241 HD1 HIS 31 HD1 HIS 31 5.925 -3.210 -0.564 242 HD2 HIS 31 HD2 HIS 31 3.174 -4.907 -3.175 243 HE1 HIS 31 HE1 HIS 31 7.274 -4.661 -2.111 244 HE2 HIS 31 HE2 HIS 31 5.579 -5.743 -3.629 245 H LYS 32 H LYS 32 2.066 -0.123 -2.834 246 HA LYS 32 HA LYS 32 -0.539 -0.126 -1.532 247 1HB LYS 32 2HB LYS 32 0.396 2.504 -2.562 248 2HB LYS 32 1HB LYS 32 -0.737 2.146 -1.267 249 1HG LYS 32 2HG LYS 32 1.270 1.352 0.069 250 2HG LYS 32 1HG LYS 32 2.262 2.115 -1.177 251 1HD LYS 32 2HD LYS 32 0.069 3.723 0.016 252 2HD LYS 32 1HD LYS 32 1.490 3.411 1.013 253 1HE LYS 32 2HE LYS 32 2.392 5.185 -0.002 254 2HE LYS 32 1HE LYS 32 2.592 4.123 -1.396 255 1HZ LYS 32 1HZ LYS 32 0.571 4.915 -2.328 256 2HZ LYS 32 2HZ LYS 32 1.474 6.274 -1.881 257 3HZ LYS 32 3HZ LYS 32 0.171 5.772 -0.925 258 H CYS 33 H CYS 33 -1.342 2.082 -3.347 259 HA CYS 33 HA CYS 33 -1.602 0.469 -5.780 260 1HB CYS 33 2HB CYS 33 -3.339 2.474 -4.410 261 2HB CYS 33 1HB CYS 33 -3.517 2.221 -6.139 262 H ILE 34 H ILE 34 -0.731 1.160 -7.636 263 HA ILE 34 HA ILE 34 0.238 3.940 -7.753 264 HB ILE 34 HB ILE 34 1.736 2.698 -9.632 265 1HG1 ILE 34 2HG1 ILE 34 0.748 0.493 -8.935 266 2HG1 ILE 34 1HG1 ILE 34 2.505 0.567 -8.839 267 1HG2 ILE 34 1HG2 ILE 34 3.120 3.863 -8.328 268 2HG2 ILE 34 2HG2 ILE 34 3.267 2.399 -7.354 269 3HG2 ILE 34 3HG2 ILE 34 2.094 3.641 -6.909 270 1HD1 ILE 34 1HD1 ILE 34 0.561 0.048 -6.775 271 2HD1 ILE 34 2HD1 ILE 34 1.650 1.362 -6.329 272 3HD1 ILE 34 3HD1 ILE 34 2.305 -0.212 -6.777 273 H GLY 35 HN GLY 35 0.980 3.882 -10.470 274 1HA GLY 35 2HA GLY 35 -1.678 3.738 -11.746 275 2HA GLY 35 1HA GLY 35 -0.477 4.959 -12.128 Start of MODEL 6 1 HN PCA 1 HN PCA 1 -14.227 -8.087 -2.636 2 HA PCA 1 HA PCA 1 -11.719 -7.915 -2.644 3 1HB PCA 1 1HB PCA 1 -11.034 -8.523 -5.293 4 2HB PCA 1 2HB PCA 1 -10.993 -9.703 -3.948 5 1HG PCA 1 1HG PCA 1 -13.055 -9.352 -6.111 6 2HG PCA 1 2HG PCA 1 -12.619 -10.823 -5.186 7 H GLN 2 H GLN 2 -13.734 -6.009 -2.905 8 HA GLN 2 HA GLN 2 -14.038 -4.422 -5.033 9 1HB GLN 2 2HB GLN 2 -13.195 -2.807 -2.745 10 2HB GLN 2 1HB GLN 2 -14.748 -2.868 -3.570 11 1HG GLN 2 2HG GLN 2 -14.753 -5.239 -2.248 12 2HG GLN 2 1HG GLN 2 -13.849 -4.216 -1.132 13 1HE2 GLN 2 1HE2 GLN 2 -16.031 -2.563 -3.136 14 2HE2 GLN 2 2HE2 GLN 2 -17.298 -2.342 -1.982 15 H CYS 3 H CYS 3 -12.971 -2.390 -5.718 16 HA CYS 3 HA CYS 3 -10.316 -2.860 -6.518 17 1HB CYS 3 2HB CYS 3 -10.475 -0.894 -7.705 18 2HB CYS 3 1HB CYS 3 -12.183 -1.239 -7.477 19 H VAL 4 H VAL 4 -9.201 -0.272 -6.183 20 HA VAL 4 HA VAL 4 -8.894 0.270 -3.374 21 HB VAL 4 HB VAL 4 -6.440 -0.642 -4.868 22 1HG1 VAL 4 1HG1 VAL 4 -6.949 -0.015 -1.962 23 2HG1 VAL 4 2HG1 VAL 4 -6.008 0.953 -3.097 24 3HG1 VAL 4 3HG1 VAL 4 -5.437 -0.645 -2.618 25 1HG2 VAL 4 1HG2 VAL 4 -8.488 -2.253 -3.755 26 2HG2 VAL 4 2HG2 VAL 4 -7.074 -2.375 -2.708 27 3HG2 VAL 4 3HG2 VAL 4 -6.935 -2.759 -4.423 28 H LYS 5 H LYS 5 -8.488 2.374 -3.131 29 HA LYS 5 HA LYS 5 -8.146 4.014 -5.446 30 1HB LYS 5 2HB LYS 5 -9.181 4.357 -2.868 31 2HB LYS 5 1HB LYS 5 -7.801 5.437 -2.972 32 1HG LYS 5 2HG LYS 5 -8.715 6.590 -4.821 33 2HG LYS 5 1HG LYS 5 -9.964 5.365 -5.051 34 1HD LYS 5 2HD LYS 5 -10.224 6.272 -2.402 35 2HD LYS 5 1HD LYS 5 -10.003 7.712 -3.399 36 1HE LYS 5 2HE LYS 5 -12.016 7.494 -4.360 37 2HE LYS 5 1HE LYS 5 -11.838 5.751 -4.551 38 1HZ LYS 5 1HZ LYS 5 -13.567 5.933 -3.057 39 2HZ LYS 5 2HZ LYS 5 -12.894 7.261 -2.253 40 3HZ LYS 5 3HZ LYS 5 -12.246 5.716 -2.022 41 H LYS 6 H LYS 6 -6.437 5.351 -5.976 42 HA LYS 6 HA LYS 6 -3.850 4.390 -5.494 43 1HB LYS 6 2HB LYS 6 -4.420 5.699 -7.480 44 2HB LYS 6 1HB LYS 6 -4.727 7.111 -6.480 45 1HG LYS 6 2HG LYS 6 -2.049 5.800 -6.399 46 2HG LYS 6 1HG LYS 6 -2.469 6.867 -7.740 47 1HD LYS 6 2HD LYS 6 -3.277 8.303 -5.542 48 2HD LYS 6 1HD LYS 6 -1.812 7.505 -4.968 49 1HE LYS 6 2HE LYS 6 -0.519 8.865 -6.163 50 2HE LYS 6 1HE LYS 6 -1.442 8.545 -7.631 51 1HZ LYS 6 1HZ LYS 6 -2.656 10.407 -7.379 52 2HZ LYS 6 2HZ LYS 6 -1.330 10.925 -6.466 53 3HZ LYS 6 3HZ LYS 6 -2.699 10.306 -5.690 54 H ASP 7 H ASP 7 -2.204 5.057 -4.165 55 HA ASP 7 HA ASP 7 -1.141 6.361 -2.553 56 1HB ASP 7 2HB ASP 7 -2.958 8.147 -3.146 57 2HB ASP 7 1HB ASP 7 -3.753 7.557 -1.690 58 H GLU 8 H GLU 8 -3.925 4.420 -2.277 59 HA GLU 8 HA GLU 8 -3.627 4.006 0.589 60 1HB GLU 8 2HB GLU 8 -5.520 2.770 -1.420 61 2HB GLU 8 1HB GLU 8 -5.549 2.456 0.310 62 1HG GLU 8 2HG GLU 8 -6.038 4.808 0.734 63 2HG GLU 8 1HG GLU 8 -6.000 5.129 -0.999 64 H LEU 9 H LEU 9 -2.959 2.080 1.532 65 HA LEU 9 HA LEU 9 -0.929 0.667 0.226 66 1HB LEU 9 2HB LEU 9 -2.501 0.140 2.732 67 2HB LEU 9 1HB LEU 9 -1.210 -0.918 2.203 68 HG LEU 9 HG LEU 9 -0.909 1.205 3.882 69 1HD1 LEU 9 1HD1 LEU 9 0.621 -0.754 3.290 70 2HD1 LEU 9 2HD1 LEU 9 1.381 0.762 3.775 71 3HD1 LEU 9 3HD1 LEU 9 1.306 0.319 2.069 72 1HD2 LEU 9 1HD2 LEU 9 -1.228 2.460 1.491 73 2HD2 LEU 9 2HD2 LEU 9 0.524 2.287 1.572 74 3HD2 LEU 9 3HD2 LEU 9 -0.341 3.117 2.866 75 H CYS 10 H CYS 10 -0.977 -1.862 0.307 76 HA CYS 10 HA CYS 10 -3.247 -3.366 -0.124 77 1HB CYS 10 2HB CYS 10 -3.391 -1.654 -2.087 78 2HB CYS 10 1HB CYS 10 -2.127 -2.641 -2.811 79 H ILE 11 H ILE 11 -2.540 -5.154 -2.055 80 HA ILE 11 HA ILE 11 0.262 -5.811 -1.620 81 HB ILE 11 HB ILE 11 -1.669 -8.030 -1.242 82 1HG1 ILE 11 2HG1 ILE 11 -0.881 -6.290 1.088 83 2HG1 ILE 11 1HG1 ILE 11 -2.382 -6.028 0.204 84 1HG2 ILE 11 1HG2 ILE 11 1.067 -7.757 -1.155 85 2HG2 ILE 11 2HG2 ILE 11 0.145 -9.113 -0.507 86 3HG2 ILE 11 3HG2 ILE 11 0.614 -7.781 0.549 87 1HD1 ILE 11 1HD1 ILE 11 -2.406 -7.455 2.348 88 2HD1 ILE 11 2HD1 ILE 11 -1.738 -8.721 1.319 89 3HD1 ILE 11 3HD1 ILE 11 -3.307 -8.012 0.938 90 HA PRO 12 HA PRO 12 -0.323 -6.909 -5.901 91 1HB PRO 12 2HB PRO 12 2.220 -7.668 -6.402 92 2HB PRO 12 1HB PRO 12 1.763 -5.970 -6.218 93 1HG PRO 12 2HG PRO 12 3.026 -7.818 -4.230 94 2HG PRO 12 1HG PRO 12 3.414 -6.125 -4.587 95 1HD PRO 12 2HD PRO 12 1.897 -6.891 -2.458 96 2HD PRO 12 1HD PRO 12 1.702 -5.329 -3.277 97 H TYR 13 H TYR 13 -0.583 -8.850 -3.512 98 HA TYR 13 HA TYR 13 -0.821 -11.227 -5.103 99 1HB TYR 13 2HB TYR 13 1.126 -11.256 -2.786 100 2HB TYR 13 1HB TYR 13 0.674 -12.633 -3.785 101 HD1 TYR 13 HD1 TYR 13 2.910 -9.862 -3.402 102 HD2 TYR 13 HD2 TYR 13 1.283 -12.564 -6.258 103 HE1 TYR 13 HE1 TYR 13 4.762 -9.347 -4.936 104 HE2 TYR 13 HE2 TYR 13 3.129 -12.056 -7.799 105 HH TYR 13 HH TYR 13 5.159 -11.076 -7.984 106 H TYR 14 H TYR 14 -2.368 -9.377 -3.374 107 HA TYR 14 HA TYR 14 -3.697 -11.426 -1.770 108 1HB TYR 14 2HB TYR 14 -2.258 -9.104 -0.711 109 2HB TYR 14 1HB TYR 14 -3.923 -9.209 -0.149 110 HD1 TYR 14 HD1 TYR 14 -4.654 -11.095 1.224 111 HD2 TYR 14 HD2 TYR 14 -0.610 -10.733 -0.045 112 HE1 TYR 14 HE1 TYR 14 -3.985 -12.761 2.902 113 HE2 TYR 14 HE2 TYR 14 0.071 -12.400 1.627 114 HH TYR 14 HH TYR 14 -2.177 -14.332 3.320 115 H LEU 15 H LEU 15 -3.770 -8.021 -2.779 116 HA LEU 15 HA LEU 15 -6.629 -8.349 -3.398 117 1HB LEU 15 2HB LEU 15 -5.832 -5.635 -2.676 118 2HB LEU 15 1HB LEU 15 -7.232 -6.565 -2.177 119 HG LEU 15 HG LEU 15 -5.839 -7.730 -0.500 120 1HD1 LEU 15 1HD1 LEU 15 -3.631 -6.281 -0.073 121 2HD1 LEU 15 2HD1 LEU 15 -3.721 -6.164 -1.831 122 3HD1 LEU 15 3HD1 LEU 15 -3.651 -7.746 -1.054 123 1HD2 LEU 15 1HD2 LEU 15 -6.811 -6.120 0.705 124 2HD2 LEU 15 2HD2 LEU 15 -6.483 -4.884 -0.511 125 3HD2 LEU 15 3HD2 LEU 15 -5.237 -5.326 0.656 126 H ASP 16 H ASP 16 -7.121 -5.903 -4.515 127 HA ASP 16 HA ASP 16 -5.114 -5.410 -6.562 128 1HB ASP 16 2HB ASP 16 -7.926 -6.001 -7.451 129 2HB ASP 16 1HB ASP 16 -6.458 -5.929 -8.420 130 H CYS 17 H CYS 17 -5.343 -3.402 -7.599 131 HA CYS 17 HA CYS 17 -6.942 -1.499 -6.105 132 1HB CYS 17 2HB CYS 17 -4.868 -1.095 -8.267 133 2HB CYS 17 1HB CYS 17 -5.643 0.186 -7.353 134 H CYS 18 H CYS 18 -8.045 0.269 -7.349 135 HA CYS 18 HA CYS 18 -10.037 -0.809 -8.992 136 1HB CYS 18 2HB CYS 18 -9.448 2.096 -9.200 137 2HB CYS 18 1HB CYS 18 -10.985 1.265 -8.979 138 H GLU 19 H GLU 19 -8.426 2.002 -10.263 139 HA GLU 19 HA GLU 19 -6.786 0.995 -12.205 140 1HB GLU 19 2HB GLU 19 -9.419 0.182 -12.742 141 2HB GLU 19 1HB GLU 19 -9.093 1.486 -13.875 142 1HG GLU 19 2HG GLU 19 -7.820 0.180 -15.129 143 2HG GLU 19 1HG GLU 19 -6.864 -0.330 -13.738 144 HA PRO 20 HA PRO 20 -6.126 1.416 -14.125 145 1HB PRO 20 2HB PRO 20 -4.170 2.774 -15.327 146 2HB PRO 20 1HB PRO 20 -5.830 2.845 -15.931 147 1HG PRO 20 2HG PRO 20 -4.311 4.845 -14.319 148 2HG PRO 20 1HG PRO 20 -5.475 5.109 -15.628 149 1HD PRO 20 2HD PRO 20 -6.027 5.275 -12.894 150 2HD PRO 20 1HD PRO 20 -7.232 5.122 -14.186 151 H LEU 21 H LEU 21 -5.763 1.958 -11.347 152 HA LEU 21 HA LEU 21 -2.899 2.175 -10.911 153 1HB LEU 21 2HB LEU 21 -5.049 1.612 -8.874 154 2HB LEU 21 1HB LEU 21 -3.414 2.170 -8.567 155 HG LEU 21 HG LEU 21 -5.385 3.819 -10.133 156 1HD1 LEU 21 1HD1 LEU 21 -4.866 4.426 -7.282 157 2HD1 LEU 21 2HD1 LEU 21 -5.975 3.104 -7.641 158 3HD1 LEU 21 3HD1 LEU 21 -6.300 4.721 -8.264 159 1HD2 LEU 21 1HD2 LEU 21 -3.240 4.658 -10.465 160 2HD2 LEU 21 2HD2 LEU 21 -2.737 4.295 -8.815 161 3HD2 LEU 21 3HD2 LEU 21 -3.852 5.626 -9.123 162 H GLU 22 H GLU 22 -1.887 0.566 -9.372 163 HA GLU 22 HA GLU 22 -2.856 -2.162 -9.889 164 1HB GLU 22 2HB GLU 22 -0.814 -1.251 -11.302 165 2HB GLU 22 1HB GLU 22 0.084 -1.637 -9.840 166 1HG GLU 22 2HG GLU 22 0.300 -3.574 -11.043 167 2HG GLU 22 1HG GLU 22 -1.101 -3.940 -10.038 168 H CYS 23 H CYS 23 -3.189 -3.203 -8.061 169 HA CYS 23 HA CYS 23 -2.355 -2.212 -5.539 170 1HB CYS 23 2HB CYS 23 -4.382 -3.412 -5.557 171 2HB CYS 23 1HB CYS 23 -3.679 -4.757 -6.448 172 H LYS 24 H LYS 24 -0.015 -2.096 -6.041 173 HA LYS 24 HA LYS 24 1.308 -4.477 -5.034 174 1HB LYS 24 2HB LYS 24 3.071 -4.134 -6.941 175 2HB LYS 24 1HB LYS 24 1.630 -5.100 -7.230 176 1HG LYS 24 2HG LYS 24 1.459 -3.832 -9.069 177 2HG LYS 24 1HG LYS 24 0.736 -2.662 -7.963 178 1HD LYS 24 2HD LYS 24 2.661 -1.918 -9.547 179 2HD LYS 24 1HD LYS 24 2.649 -1.369 -7.870 180 1HE LYS 24 2HE LYS 24 4.191 -3.194 -7.284 181 2HE LYS 24 1HE LYS 24 4.224 -3.693 -8.973 182 1HZ LYS 24 1HZ LYS 24 5.905 -1.899 -7.790 183 2HZ LYS 24 2HZ LYS 24 4.831 -0.920 -8.654 184 3HZ LYS 24 3HZ LYS 24 5.703 -2.126 -9.455 185 H LYS 25 H LYS 25 3.917 -3.789 -5.434 186 HA LYS 25 HA LYS 25 4.456 -1.974 -3.397 187 1HB LYS 25 2HB LYS 25 5.990 -3.731 -4.468 188 2HB LYS 25 1HB LYS 25 6.355 -2.503 -5.672 189 1HG LYS 25 2HG LYS 25 7.091 -1.004 -3.827 190 2HG LYS 25 1HG LYS 25 6.869 -2.353 -2.711 191 1HD LYS 25 2HD LYS 25 8.417 -3.634 -4.353 192 2HD LYS 25 1HD LYS 25 8.875 -2.022 -4.909 193 1HE LYS 25 2HE LYS 25 9.714 -1.420 -2.791 194 2HE LYS 25 1HE LYS 25 8.937 -2.793 -2.005 195 1HZ LYS 25 1HZ LYS 25 11.462 -2.850 -2.550 196 2HZ LYS 25 2HZ LYS 25 10.938 -3.287 -4.098 197 3HZ LYS 25 3HZ LYS 25 10.523 -4.240 -2.764 198 H VAL 26 H VAL 26 4.418 0.150 -3.264 199 HA VAL 26 HA VAL 26 3.973 1.737 -5.659 200 HB VAL 26 HB VAL 26 4.228 3.184 -3.136 201 1HG1 VAL 26 1HG1 VAL 26 2.463 4.397 -3.948 202 2HG1 VAL 26 2HG1 VAL 26 1.715 2.999 -4.719 203 3HG1 VAL 26 3HG1 VAL 26 3.126 3.763 -5.455 204 1HG2 VAL 26 1HG2 VAL 26 1.836 1.405 -3.269 205 2HG2 VAL 26 2HG2 VAL 26 2.536 2.244 -1.885 206 3HG2 VAL 26 3HG2 VAL 26 3.332 0.815 -2.545 207 H ASN 27 H ASN 27 6.453 1.010 -3.364 208 HA ASN 27 HA ASN 27 8.288 2.772 -4.810 209 1HB ASN 27 2HB ASN 27 9.103 2.840 -2.122 210 2HB ASN 27 1HB ASN 27 8.475 4.170 -3.087 211 1HD2 ASN 27 1HD2 ASN 27 6.019 4.148 -3.273 212 2HD2 ASN 27 2HD2 ASN 27 5.152 3.857 -1.808 213 H TRP 28 H TRP 28 9.906 1.907 -2.172 214 HA TRP 28 HA TRP 28 10.911 -0.567 -3.392 215 1HB TRP 28 2HB TRP 28 13.069 0.027 -2.829 216 2HB TRP 28 1HB TRP 28 12.364 1.617 -3.117 217 HD1 TRP 28 HD1 TRP 28 10.788 1.563 -0.192 218 HE1 TRP 28 HE1 TRP 28 12.186 2.130 1.893 219 HE3 TRP 28 HE3 TRP 28 15.459 0.681 -2.082 220 HZ2 TRP 28 HZ2 TRP 28 14.909 2.198 2.636 221 HZ3 TRP 28 HZ3 TRP 28 17.406 1.021 -0.617 222 HH2 TRP 28 HH2 TRP 28 17.136 1.765 1.693 223 H TRP 29 H TRP 29 9.231 0.626 -0.747 224 HA TRP 29 HA TRP 29 9.694 -1.868 0.710 225 1HB TRP 29 2HB TRP 29 10.499 -0.928 2.601 226 2HB TRP 29 1HB TRP 29 10.968 0.386 1.527 227 HD1 TRP 29 HD1 TRP 29 8.008 -0.558 3.839 228 HE1 TRP 29 HE1 TRP 29 7.018 1.617 4.793 229 HE3 TRP 29 HE3 TRP 29 10.892 2.822 1.310 230 HZ2 TRP 29 HZ2 TRP 29 7.407 4.397 4.511 231 HZ3 TRP 29 HZ3 TRP 29 10.518 5.222 1.709 232 HH2 TRP 29 HH2 TRP 29 8.811 5.990 3.277 233 H ASP 30 H ASP 30 7.723 1.013 0.234 234 HA ASP 30 HA ASP 30 5.531 -0.132 1.760 235 1HB ASP 30 2HB ASP 30 6.356 2.468 1.285 236 2HB ASP 30 1HB ASP 30 4.928 2.299 0.269 237 H HIS 31 H HIS 31 3.840 -1.151 0.923 238 HA HIS 31 HA HIS 31 3.601 -1.272 -2.002 239 1HB HIS 31 2HB HIS 31 3.193 -3.253 0.177 240 2HB HIS 31 1HB HIS 31 2.123 -3.358 -1.214 241 HD1 HIS 31 HD1 HIS 31 5.887 -2.957 -0.750 242 HD2 HIS 31 HD2 HIS 31 3.134 -5.069 -3.036 243 HE1 HIS 31 HE1 HIS 31 7.256 -4.422 -2.266 244 HE2 HIS 31 HE2 HIS 31 5.572 -5.623 -3.703 245 H LYS 32 H LYS 32 1.971 -0.170 -2.845 246 HA LYS 32 HA LYS 32 -0.617 -0.121 -1.493 247 1HB LYS 32 2HB LYS 32 0.654 2.406 -2.545 248 2HB LYS 32 1HB LYS 32 -0.866 2.256 -1.677 249 1HG LYS 32 2HG LYS 32 0.414 1.486 0.310 250 2HG LYS 32 1HG LYS 32 1.902 1.832 -0.576 251 1HD LYS 32 2HD LYS 32 0.776 4.181 -0.915 252 2HD LYS 32 1HD LYS 32 -0.146 3.709 0.516 253 1HE LYS 32 2HE LYS 32 1.566 4.252 1.819 254 2HE LYS 32 1HE LYS 32 2.597 3.102 0.968 255 1HZ LYS 32 1HZ LYS 32 2.624 5.087 -0.767 256 2HZ LYS 32 2HZ LYS 32 3.730 4.985 0.508 257 3HZ LYS 32 3HZ LYS 32 2.376 5.988 0.644 258 H CYS 33 H CYS 33 -1.380 2.061 -3.384 259 HA CYS 33 HA CYS 33 -1.833 0.351 -5.719 260 1HB CYS 33 2HB CYS 33 -3.320 2.596 -4.428 261 2HB CYS 33 1HB CYS 33 -3.573 2.274 -6.136 262 H ILE 34 H ILE 34 -0.796 0.791 -7.563 263 HA ILE 34 HA ILE 34 0.285 3.503 -7.946 264 HB ILE 34 HB ILE 34 1.886 2.078 -9.536 265 1HG1 ILE 34 2HG1 ILE 34 0.708 -0.040 -8.792 266 2HG1 ILE 34 1HG1 ILE 34 2.463 -0.050 -8.644 267 1HG2 ILE 34 1HG2 ILE 34 3.282 3.147 -8.181 268 2HG2 ILE 34 2HG2 ILE 34 3.109 1.825 -7.028 269 3HG2 ILE 34 3HG2 ILE 34 2.054 3.234 -6.919 270 1HD1 ILE 34 1HD1 ILE 34 2.008 -0.867 -6.608 271 2HD1 ILE 34 2HD1 ILE 34 0.387 -0.172 -6.573 272 3HD1 ILE 34 3HD1 ILE 34 1.786 0.835 -6.197 273 H GLY 35 HN GLY 35 1.212 2.271 -10.631 274 1HA GLY 35 2HA GLY 35 -1.373 2.620 -12.015 275 2HA GLY 35 1HA GLY 35 0.139 3.266 -12.632 Start of MODEL 7 1 HN PCA 1 HN PCA 1 -14.740 -9.217 -5.044 2 HA PCA 1 HA PCA 1 -14.248 -8.144 -2.854 3 1HB PCA 1 1HB PCA 1 -11.510 -7.428 -3.151 4 2HB PCA 1 2HB PCA 1 -12.131 -8.807 -2.199 5 1HG PCA 1 1HG PCA 1 -10.718 -8.860 -4.779 6 2HG PCA 1 2HG PCA 1 -11.216 -10.243 -3.757 7 H GLN 2 H GLN 2 -12.940 -5.842 -2.553 8 HA GLN 2 HA GLN 2 -14.094 -4.165 -4.649 9 1HB GLN 2 2HB GLN 2 -13.178 -2.479 -2.655 10 2HB GLN 2 1HB GLN 2 -14.828 -3.055 -2.849 11 1HG GLN 2 2HG GLN 2 -13.385 -5.072 -1.497 12 2HG GLN 2 1HG GLN 2 -13.002 -3.534 -0.725 13 1HE2 GLN 2 1HE2 GLN 2 -15.495 -5.833 -1.465 14 2HE2 GLN 2 2HE2 GLN 2 -16.689 -5.193 -0.394 15 H CYS 3 H CYS 3 -12.928 -2.315 -5.454 16 HA CYS 3 HA CYS 3 -10.321 -2.935 -6.322 17 1HB CYS 3 2HB CYS 3 -10.419 -0.987 -7.559 18 2HB CYS 3 1HB CYS 3 -12.133 -1.282 -7.304 19 H VAL 4 H VAL 4 -9.114 -0.360 -6.103 20 HA VAL 4 HA VAL 4 -8.681 0.199 -3.305 21 HB VAL 4 HB VAL 4 -6.322 -0.714 -4.945 22 1HG1 VAL 4 1HG1 VAL 4 -5.751 0.892 -3.240 23 2HG1 VAL 4 2HG1 VAL 4 -5.183 -0.704 -2.750 24 3HG1 VAL 4 3HG1 VAL 4 -6.642 -0.027 -2.028 25 1HG2 VAL 4 1HG2 VAL 4 -8.252 -2.379 -3.930 26 2HG2 VAL 4 2HG2 VAL 4 -7.049 -2.347 -2.642 27 3HG2 VAL 4 3HG2 VAL 4 -6.583 -2.832 -4.272 28 H LYS 5 H LYS 5 -8.323 2.304 -3.102 29 HA LYS 5 HA LYS 5 -8.043 3.935 -5.437 30 1HB LYS 5 2HB LYS 5 -9.110 4.288 -2.891 31 2HB LYS 5 1HB LYS 5 -7.716 5.354 -2.944 32 1HG LYS 5 2HG LYS 5 -9.812 6.453 -3.633 33 2HG LYS 5 1HG LYS 5 -8.567 6.478 -4.883 34 1HD LYS 5 2HD LYS 5 -10.857 5.929 -5.718 35 2HD LYS 5 1HD LYS 5 -9.639 4.703 -6.080 36 1HE LYS 5 2HE LYS 5 -11.755 3.717 -5.308 37 2HE LYS 5 1HE LYS 5 -10.412 3.347 -4.228 38 1HZ LYS 5 1HZ LYS 5 -11.706 4.108 -2.609 39 2HZ LYS 5 2HZ LYS 5 -12.831 4.764 -3.688 40 3HZ LYS 5 3HZ LYS 5 -11.471 5.662 -3.236 41 H LYS 6 H LYS 6 -6.373 5.383 -5.916 42 HA LYS 6 HA LYS 6 -3.765 4.448 -5.512 43 1HB LYS 6 2HB LYS 6 -4.248 5.795 -7.432 44 2HB LYS 6 1HB LYS 6 -4.813 7.126 -6.431 45 1HG LYS 6 2HG LYS 6 -1.979 6.118 -6.480 46 2HG LYS 6 1HG LYS 6 -2.574 7.491 -7.416 47 1HD LYS 6 2HD LYS 6 -3.407 7.935 -4.773 48 2HD LYS 6 1HD LYS 6 -1.733 7.385 -4.669 49 1HE LYS 6 2HE LYS 6 -1.213 9.526 -5.078 50 2HE LYS 6 1HE LYS 6 -1.617 9.141 -6.751 51 1HZ LYS 6 1HZ LYS 6 -3.240 10.622 -6.655 52 2HZ LYS 6 2HZ LYS 6 -2.866 10.975 -5.043 53 3HZ LYS 6 3HZ LYS 6 -3.987 9.761 -5.403 54 H ASP 7 H ASP 7 -2.133 5.041 -4.143 55 HA ASP 7 HA ASP 7 -1.065 6.291 -2.486 56 1HB ASP 7 2HB ASP 7 -2.802 8.128 -2.985 57 2HB ASP 7 1HB ASP 7 -3.723 7.436 -1.652 58 H GLU 8 H GLU 8 -3.804 4.289 -2.280 59 HA GLU 8 HA GLU 8 -3.512 3.796 0.572 60 1HB GLU 8 2HB GLU 8 -5.461 2.970 -1.535 61 2HB GLU 8 1HB GLU 8 -5.308 1.972 -0.094 62 1HG GLU 8 2HG GLU 8 -5.493 4.682 0.724 63 2HG GLU 8 1HG GLU 8 -6.773 4.367 -0.445 64 H LEU 9 H LEU 9 -2.749 1.907 1.472 65 HA LEU 9 HA LEU 9 -0.690 0.571 0.163 66 1HB LEU 9 2HB LEU 9 -2.306 -0.087 2.608 67 2HB LEU 9 1HB LEU 9 -0.976 -1.094 2.074 68 HG LEU 9 HG LEU 9 -0.752 0.951 3.843 69 1HD1 LEU 9 1HD1 LEU 9 1.229 -0.030 3.976 70 2HD1 LEU 9 2HD1 LEU 9 1.726 0.767 2.484 71 3HD1 LEU 9 3HD1 LEU 9 0.953 -0.817 2.421 72 1HD2 LEU 9 1HD2 LEU 9 0.432 2.101 1.349 73 2HD2 LEU 9 2HD2 LEU 9 0.098 2.886 2.892 74 3HD2 LEU 9 3HD2 LEU 9 -1.230 2.472 1.807 75 H CYS 10 H CYS 10 -0.722 -2.001 0.240 76 HA CYS 10 HA CYS 10 -3.019 -3.430 -0.405 77 1HB CYS 10 2HB CYS 10 -2.696 -1.711 -2.408 78 2HB CYS 10 1HB CYS 10 -1.560 -2.939 -2.957 79 H ILE 11 H ILE 11 -2.305 -5.389 -1.984 80 HA ILE 11 HA ILE 11 0.435 -6.163 -1.340 81 HB ILE 11 HB ILE 11 -1.626 -8.257 -0.993 82 1HG1 ILE 11 2HG1 ILE 11 -1.129 -6.913 1.527 83 2HG1 ILE 11 1HG1 ILE 11 -1.915 -5.835 0.378 84 1HG2 ILE 11 1HG2 ILE 11 0.561 -7.834 0.940 85 2HG2 ILE 11 2HG2 ILE 11 1.046 -8.204 -0.715 86 3HG2 ILE 11 3HG2 ILE 11 -0.001 -9.317 0.167 87 1HD1 ILE 11 1HD1 ILE 11 -3.352 -7.287 1.956 88 2HD1 ILE 11 2HD1 ILE 11 -2.982 -8.586 0.823 89 3HD1 ILE 11 3HD1 ILE 11 -3.815 -7.136 0.261 90 HA PRO 12 HA PRO 12 0.052 -7.333 -5.646 91 1HB PRO 12 2HB PRO 12 2.777 -8.371 -5.264 92 2HB PRO 12 1HB PRO 12 2.204 -7.105 -6.352 93 1HG PRO 12 2HG PRO 12 3.701 -6.549 -4.187 94 2HG PRO 12 1HG PRO 12 2.437 -5.449 -4.766 95 1HD PRO 12 2HD PRO 12 2.368 -7.383 -2.481 96 2HD PRO 12 1HD PRO 12 1.718 -5.732 -2.581 97 H TYR 13 H TYR 13 -0.662 -9.126 -3.307 98 HA TYR 13 HA TYR 13 -0.821 -11.560 -4.797 99 1HB TYR 13 2HB TYR 13 0.386 -12.406 -2.352 100 2HB TYR 13 1HB TYR 13 0.940 -12.682 -4.000 101 HD1 TYR 13 HD1 TYR 13 2.990 -11.812 -4.653 102 HD2 TYR 13 HD2 TYR 13 0.972 -10.064 -1.340 103 HE1 TYR 13 HE1 TYR 13 4.937 -10.369 -4.236 104 HE2 TYR 13 HE2 TYR 13 2.914 -8.615 -0.915 105 HH TYR 13 HH TYR 13 4.839 -7.683 -2.236 106 H TYR 14 H TYR 14 -2.526 -9.620 -3.370 107 HA TYR 14 HA TYR 14 -4.128 -11.563 -1.946 108 1HB TYR 14 2HB TYR 14 -2.502 -9.581 -0.562 109 2HB TYR 14 1HB TYR 14 -4.208 -9.457 -0.147 110 HD1 TYR 14 HD1 TYR 14 -1.421 -10.609 1.201 111 HD2 TYR 14 HD2 TYR 14 -5.129 -12.202 -0.144 112 HE1 TYR 14 HE1 TYR 14 -1.168 -12.497 2.757 113 HE2 TYR 14 HE2 TYR 14 -4.887 -14.094 1.408 114 HH TYR 14 HH TYR 14 -2.035 -14.393 3.510 115 H LEU 15 H LEU 15 -3.780 -8.078 -2.636 116 HA LEU 15 HA LEU 15 -6.623 -8.070 -3.402 117 1HB LEU 15 2HB LEU 15 -5.494 -5.515 -2.501 118 2HB LEU 15 1HB LEU 15 -7.072 -6.219 -2.203 119 HG LEU 15 HG LEU 15 -4.565 -7.103 -0.785 120 1HD1 LEU 15 1HD1 LEU 15 -4.682 -5.262 0.441 121 2HD1 LEU 15 2HD1 LEU 15 -6.296 -5.746 0.962 122 3HD1 LEU 15 3HD1 LEU 15 -6.100 -4.715 -0.454 123 1HD2 LEU 15 1HD2 LEU 15 -7.281 -7.457 0.331 124 2HD2 LEU 15 2HD2 LEU 15 -5.866 -8.504 0.431 125 3HD2 LEU 15 3HD2 LEU 15 -6.842 -8.477 -1.037 126 H ASP 16 H ASP 16 -7.151 -6.074 -4.756 127 HA ASP 16 HA ASP 16 -4.955 -5.403 -6.588 128 1HB ASP 16 2HB ASP 16 -6.487 -5.675 -8.511 129 2HB ASP 16 1HB ASP 16 -6.225 -7.193 -7.657 130 H CYS 17 H CYS 17 -5.308 -3.417 -7.792 131 HA CYS 17 HA CYS 17 -6.809 -1.500 -6.221 132 1HB CYS 17 2HB CYS 17 -4.997 -1.043 -8.595 133 2HB CYS 17 1HB CYS 17 -5.609 0.178 -7.496 134 H CYS 18 H CYS 18 -7.883 0.318 -7.551 135 HA CYS 18 HA CYS 18 -10.039 -0.847 -8.975 136 1HB CYS 18 2HB CYS 18 -9.525 2.073 -9.192 137 2HB CYS 18 1HB CYS 18 -11.025 1.209 -8.876 138 H GLU 19 H GLU 19 -8.620 2.017 -10.347 139 HA GLU 19 HA GLU 19 -7.159 0.945 -12.455 140 1HB GLU 19 2HB GLU 19 -9.782 0.250 -12.789 141 2HB GLU 19 1HB GLU 19 -9.697 1.747 -13.709 142 1HG GLU 19 2HG GLU 19 -7.426 0.233 -14.402 143 2HG GLU 19 1HG GLU 19 -8.805 -0.864 -14.426 144 HA PRO 20 HA PRO 20 -6.374 1.384 -14.151 145 1HB PRO 20 2HB PRO 20 -4.382 2.648 -15.390 146 2HB PRO 20 1HB PRO 20 -6.048 2.801 -15.964 147 1HG PRO 20 2HG PRO 20 -4.388 4.737 -14.428 148 2HG PRO 20 1HG PRO 20 -5.621 5.043 -15.661 149 1HD PRO 20 2HD PRO 20 -5.966 5.171 -12.861 150 2HD PRO 20 1HD PRO 20 -7.246 5.208 -14.088 151 H LEU 21 H LEU 21 -5.892 2.245 -11.351 152 HA LEU 21 HA LEU 21 -3.061 2.302 -10.935 153 1HB LEU 21 2HB LEU 21 -5.185 1.642 -8.904 154 2HB LEU 21 1HB LEU 21 -3.566 2.241 -8.597 155 HG LEU 21 HG LEU 21 -5.610 3.861 -10.099 156 1HD1 LEU 21 1HD1 LEU 21 -6.368 4.846 -8.138 157 2HD1 LEU 21 2HD1 LEU 21 -5.015 4.229 -7.188 158 3HD1 LEU 21 3HD1 LEU 21 -6.291 3.134 -7.722 159 1HD2 LEU 21 1HD2 LEU 21 -4.183 5.676 -9.729 160 2HD2 LEU 21 2HD2 LEU 21 -3.102 4.356 -10.171 161 3HD2 LEU 21 3HD2 LEU 21 -3.276 4.825 -8.480 162 H GLU 22 H GLU 22 -2.025 0.677 -9.435 163 HA GLU 22 HA GLU 22 -2.955 -2.054 -9.997 164 1HB GLU 22 2HB GLU 22 -0.741 -0.892 -11.204 165 2HB GLU 22 1HB GLU 22 -0.051 -1.828 -9.886 166 1HG GLU 22 2HG GLU 22 -0.211 -3.039 -12.054 167 2HG GLU 22 1HG GLU 22 -1.009 -3.842 -10.702 168 H CYS 23 H CYS 23 -2.774 -3.474 -8.348 169 HA CYS 23 HA CYS 23 -2.172 -2.412 -5.735 170 1HB CYS 23 2HB CYS 23 -4.103 -3.841 -5.965 171 2HB CYS 23 1HB CYS 23 -3.126 -5.125 -6.667 172 H LYS 24 H LYS 24 0.132 -2.042 -6.155 173 HA LYS 24 HA LYS 24 1.682 -4.355 -5.338 174 1HB LYS 24 2HB LYS 24 3.400 -3.884 -7.145 175 2HB LYS 24 1HB LYS 24 1.916 -4.670 -7.665 176 1HG LYS 24 2HG LYS 24 2.248 -3.080 -9.300 177 2HG LYS 24 1HG LYS 24 1.115 -2.277 -8.212 178 1HD LYS 24 2HD LYS 24 2.556 -0.613 -7.925 179 2HD LYS 24 1HD LYS 24 3.754 -1.747 -7.297 180 1HE LYS 24 2HE LYS 24 4.418 -0.337 -9.320 181 2HE LYS 24 1HE LYS 24 4.717 -2.073 -9.405 182 1HZ LYS 24 1HZ LYS 24 2.263 -0.842 -10.509 183 2HZ LYS 24 2HZ LYS 24 2.896 -2.377 -10.827 184 3HZ LYS 24 3HZ LYS 24 3.678 -1.003 -11.423 185 H LYS 25 H LYS 25 4.195 -3.458 -5.534 186 HA LYS 25 HA LYS 25 4.431 -1.630 -3.414 187 1HB LYS 25 2HB LYS 25 6.102 -3.405 -4.389 188 2HB LYS 25 1HB LYS 25 6.662 -2.051 -5.360 189 1HG LYS 25 2HG LYS 25 6.828 -0.810 -3.094 190 2HG LYS 25 1HG LYS 25 6.787 -2.432 -2.401 191 1HD LYS 25 2HD LYS 25 8.782 -1.362 -4.394 192 2HD LYS 25 1HD LYS 25 9.082 -1.756 -2.701 193 1HE LYS 25 2HE LYS 25 8.696 -4.090 -3.118 194 2HE LYS 25 1HE LYS 25 8.184 -3.754 -4.772 195 1HZ LYS 25 1HZ LYS 25 10.907 -3.236 -3.707 196 2HZ LYS 25 2HZ LYS 25 10.402 -3.038 -5.308 197 3HZ LYS 25 3HZ LYS 25 10.473 -4.586 -4.630 198 H VAL 26 H VAL 26 4.531 0.510 -3.320 199 HA VAL 26 HA VAL 26 4.240 2.040 -5.775 200 HB VAL 26 HB VAL 26 4.406 3.408 -3.147 201 1HG1 VAL 26 1HG1 VAL 26 2.784 4.835 -4.071 202 2HG1 VAL 26 2HG1 VAL 26 2.314 3.648 -5.287 203 3HG1 VAL 26 3HG1 VAL 26 3.878 4.455 -5.402 204 1HG2 VAL 26 1HG2 VAL 26 2.180 2.773 -2.470 205 2HG2 VAL 26 2HG2 VAL 26 3.171 1.324 -2.636 206 3HG2 VAL 26 3HG2 VAL 26 2.005 1.743 -3.890 207 H ASN 27 H ASN 27 6.604 1.200 -3.453 208 HA ASN 27 HA ASN 27 8.567 2.912 -4.786 209 1HB ASN 27 2HB ASN 27 9.127 2.680 -1.967 210 2HB ASN 27 1HB ASN 27 9.062 4.118 -2.973 211 1HD2 ASN 27 1HD2 ASN 27 8.213 4.164 -0.368 212 2HD2 ASN 27 2HD2 ASN 27 6.499 4.371 -0.322 213 H TRP 28 H TRP 28 9.556 1.476 -1.893 214 HA TRP 28 HA TRP 28 10.514 -0.939 -3.246 215 1HB TRP 28 2HB TRP 28 12.717 -0.543 -2.828 216 2HB TRP 28 1HB TRP 28 12.193 1.139 -2.853 217 HD1 TRP 28 HD1 TRP 28 10.989 1.516 -0.031 218 HE1 TRP 28 HE1 TRP 28 12.456 1.371 2.079 219 HE3 TRP 28 HE3 TRP 28 14.882 -1.198 -1.932 220 HZ2 TRP 28 HZ2 TRP 28 14.935 0.254 2.837 221 HZ3 TRP 28 HZ3 TRP 28 16.761 -1.762 -0.449 222 HH2 TRP 28 HH2 TRP 28 16.786 -1.050 1.886 223 H TRP 29 H TRP 29 9.415 0.678 -0.408 224 HA TRP 29 HA TRP 29 9.403 -1.891 1.035 225 1HB TRP 29 2HB TRP 29 10.152 -0.934 2.975 226 2HB TRP 29 1HB TRP 29 10.949 0.135 1.825 227 HD1 TRP 29 HD1 TRP 29 7.846 0.046 4.121 228 HE1 TRP 29 HE1 TRP 29 7.206 2.470 4.702 229 HE3 TRP 29 HE3 TRP 29 11.194 2.505 1.142 230 HZ2 TRP 29 HZ2 TRP 29 8.015 5.079 3.993 231 HZ3 TRP 29 HZ3 TRP 29 11.196 4.965 1.153 232 HH2 TRP 29 HH2 TRP 29 9.639 6.224 2.548 233 H ASP 30 H ASP 30 7.739 1.074 0.239 234 HA ASP 30 HA ASP 30 5.403 0.297 1.804 235 1HB ASP 30 2HB ASP 30 6.530 2.758 1.127 236 2HB ASP 30 1HB ASP 30 5.066 2.658 0.156 237 H HIS 31 H HIS 31 4.082 -1.129 0.879 238 HA HIS 31 HA HIS 31 3.756 -1.135 -2.025 239 1HB HIS 31 2HB HIS 31 3.339 -3.114 0.152 240 2HB HIS 31 1HB HIS 31 2.289 -3.234 -1.253 241 HD1 HIS 31 HD1 HIS 31 5.979 -3.244 -0.389 242 HD2 HIS 31 HD2 HIS 31 3.402 -4.490 -3.399 243 HE1 HIS 31 HE1 HIS 31 7.394 -4.598 -1.967 244 HE2 HIS 31 HE2 HIS 31 5.795 -5.412 -3.736 245 H LYS 32 H LYS 32 2.107 -0.088 -2.913 246 HA LYS 32 HA LYS 32 -0.487 -0.093 -1.587 247 1HB LYS 32 2HB LYS 32 0.517 2.507 -2.690 248 2HB LYS 32 1HB LYS 32 -0.772 2.218 -1.531 249 1HG LYS 32 2HG LYS 32 1.051 1.442 0.064 250 2HG LYS 32 1HG LYS 32 2.192 2.159 -1.076 251 1HD LYS 32 2HD LYS 32 -0.110 3.818 -0.208 252 2HD LYS 32 1HD LYS 32 1.173 3.525 0.968 253 1HE LYS 32 2HE LYS 32 1.917 4.378 -1.787 254 2HE LYS 32 1HE LYS 32 1.263 5.582 -0.677 255 1HZ LYS 32 1HZ LYS 32 3.172 5.656 0.431 256 2HZ LYS 32 2HZ LYS 32 3.865 4.762 -0.825 257 3HZ LYS 32 3HZ LYS 32 3.276 3.972 0.550 258 H CYS 33 H CYS 33 -1.309 2.065 -3.475 259 HA CYS 33 HA CYS 33 -1.570 0.400 -5.876 260 1HB CYS 33 2HB CYS 33 -3.379 2.329 -4.481 261 2HB CYS 33 1HB CYS 33 -3.571 2.062 -6.206 262 H ILE 34 H ILE 34 -0.703 1.115 -7.713 263 HA ILE 34 HA ILE 34 0.116 3.939 -7.868 264 HB ILE 34 HB ILE 34 1.686 2.787 -9.720 265 1HG1 ILE 34 2HG1 ILE 34 2.455 0.650 -9.104 266 2HG1 ILE 34 1HG1 ILE 34 1.712 0.746 -7.511 267 1HG2 ILE 34 1HG2 ILE 34 3.411 2.644 -7.792 268 2HG2 ILE 34 2HG2 ILE 34 2.098 3.281 -6.801 269 3HG2 ILE 34 3HG2 ILE 34 2.685 4.203 -8.186 270 1HD1 ILE 34 1HD1 ILE 34 0.544 -0.024 -10.109 271 2HD1 ILE 34 2HD1 ILE 34 -0.490 0.872 -8.997 272 3HD1 ILE 34 3HD1 ILE 34 0.239 -0.651 -8.489 273 H GLY 35 HN GLY 35 0.887 3.798 -10.606 274 1HA GLY 35 2HA GLY 35 -1.652 3.228 -11.978 275 2HA GLY 35 1HA GLY 35 -0.933 4.825 -12.117 Start of MODEL 8 1 HN PCA 1 HN PCA 1 -15.468 -8.760 -5.754 2 HA PCA 1 HA PCA 1 -14.085 -8.583 -3.504 3 1HB PCA 1 1HB PCA 1 -11.714 -8.210 -5.331 4 2HB PCA 1 2HB PCA 1 -11.808 -9.037 -3.747 5 1HG PCA 1 1HG PCA 1 -11.775 -10.367 -6.207 6 2HG PCA 1 2HG PCA 1 -12.480 -11.052 -4.709 7 H GLN 2 H GLN 2 -13.002 -6.514 -2.914 8 HA GLN 2 HA GLN 2 -14.199 -4.335 -4.432 9 1HB GLN 2 2HB GLN 2 -13.007 -3.177 -2.248 10 2HB GLN 2 1HB GLN 2 -14.676 -3.727 -2.321 11 1HG GLN 2 2HG GLN 2 -13.923 -4.703 -0.382 12 2HG GLN 2 1HG GLN 2 -13.705 -5.999 -1.557 13 1HE2 GLN 2 1HE2 GLN 2 -11.623 -3.229 -1.519 14 2HE2 GLN 2 2HE2 GLN 2 -10.220 -4.032 -0.908 15 H CYS 3 H CYS 3 -13.018 -2.457 -5.040 16 HA CYS 3 HA CYS 3 -10.410 -3.044 -6.068 17 1HB CYS 3 2HB CYS 3 -10.631 -1.127 -7.316 18 2HB CYS 3 1HB CYS 3 -12.328 -1.455 -6.997 19 H VAL 4 H VAL 4 -9.286 -0.456 -5.847 20 HA VAL 4 HA VAL 4 -8.886 0.137 -3.049 21 HB VAL 4 HB VAL 4 -6.578 -0.863 -4.717 22 1HG1 VAL 4 1HG1 VAL 4 -5.911 1.003 -3.323 23 2HG1 VAL 4 2HG1 VAL 4 -5.233 -0.498 -2.695 24 3HG1 VAL 4 3HG1 VAL 4 -6.633 0.233 -1.911 25 1HG2 VAL 4 1HG2 VAL 4 -7.724 -2.767 -3.959 26 2HG2 VAL 4 2HG2 VAL 4 -8.073 -2.036 -2.393 27 3HG2 VAL 4 3HG2 VAL 4 -6.427 -2.532 -2.788 28 H LYS 5 H LYS 5 -8.392 2.247 -2.801 29 HA LYS 5 HA LYS 5 -8.357 3.905 -5.124 30 1HB LYS 5 2HB LYS 5 -8.976 4.205 -2.387 31 2HB LYS 5 1HB LYS 5 -7.689 5.342 -2.746 32 1HG LYS 5 2HG LYS 5 -9.543 5.527 -4.856 33 2HG LYS 5 1HG LYS 5 -10.466 5.524 -3.352 34 1HD LYS 5 2HD LYS 5 -9.937 7.664 -3.069 35 2HD LYS 5 1HD LYS 5 -8.242 7.193 -2.920 36 1HE LYS 5 2HE LYS 5 -7.778 8.216 -4.833 37 2HE LYS 5 1HE LYS 5 -8.926 7.177 -5.676 38 1HZ LYS 5 1HZ LYS 5 -10.688 8.770 -4.927 39 2HZ LYS 5 2HZ LYS 5 -9.593 9.394 -6.055 40 3HZ LYS 5 3HZ LYS 5 -9.452 9.810 -4.421 41 H LYS 6 H LYS 6 -6.715 5.267 -5.843 42 HA LYS 6 HA LYS 6 -4.090 4.284 -5.711 43 1HB LYS 6 2HB LYS 6 -4.181 5.553 -7.571 44 2HB LYS 6 1HB LYS 6 -5.461 6.570 -6.924 45 1HG LYS 6 2HG LYS 6 -3.610 7.978 -7.309 46 2HG LYS 6 1HG LYS 6 -3.698 7.737 -5.562 47 1HD LYS 6 2HD LYS 6 -1.507 7.261 -5.747 48 2HD LYS 6 1HD LYS 6 -2.077 5.685 -6.299 49 1HE LYS 6 2HE LYS 6 -2.125 7.357 -8.550 50 2HE LYS 6 1HE LYS 6 -0.604 7.699 -7.728 51 1HZ LYS 6 1HZ LYS 6 -1.342 4.895 -8.054 52 2HZ LYS 6 2HZ LYS 6 0.181 5.626 -8.121 53 3HZ LYS 6 3HZ LYS 6 -0.864 5.728 -9.447 54 H ASP 7 H ASP 7 -2.256 5.004 -4.641 55 HA ASP 7 HA ASP 7 -0.998 6.145 -3.082 56 1HB ASP 7 2HB ASP 7 -2.233 8.202 -3.486 57 2HB ASP 7 1HB ASP 7 -3.582 7.618 -2.515 58 H GLU 8 H GLU 8 -3.720 4.273 -2.636 59 HA GLU 8 HA GLU 8 -3.424 4.000 0.247 60 1HB GLU 8 2HB GLU 8 -5.358 2.927 -1.783 61 2HB GLU 8 1HB GLU 8 -5.253 2.198 -0.187 62 1HG GLU 8 2HG GLU 8 -5.426 4.911 0.325 63 2HG GLU 8 1HG GLU 8 -6.530 4.652 -1.024 64 H LEU 9 H LEU 9 -2.858 2.026 1.262 65 HA LEU 9 HA LEU 9 -0.743 0.643 0.030 66 1HB LEU 9 2HB LEU 9 -2.354 0.125 2.516 67 2HB LEU 9 1HB LEU 9 -1.000 -0.882 2.041 68 HG LEU 9 HG LEU 9 -0.835 1.287 3.678 69 1HD1 LEU 9 1HD1 LEU 9 1.501 0.998 3.567 70 2HD1 LEU 9 2HD1 LEU 9 1.425 0.410 1.906 71 3HD1 LEU 9 3HD1 LEU 9 0.801 -0.584 3.223 72 1HD2 LEU 9 1HD2 LEU 9 0.555 2.906 2.247 73 2HD2 LEU 9 2HD2 LEU 9 -1.203 2.992 2.133 74 3HD2 LEU 9 3HD2 LEU 9 -0.277 2.178 0.873 75 H CYS 10 H CYS 10 -0.793 -1.913 0.252 76 HA CYS 10 HA CYS 10 -3.085 -3.387 -0.279 77 1HB CYS 10 2HB CYS 10 -2.941 -1.794 -2.348 78 2HB CYS 10 1HB CYS 10 -1.661 -2.883 -2.870 79 H ILE 11 H ILE 11 -2.230 -5.307 -2.026 80 HA ILE 11 HA ILE 11 0.487 -6.017 -1.286 81 HB ILE 11 HB ILE 11 -1.564 -8.126 -0.871 82 1HG1 ILE 11 2HG1 ILE 11 -0.812 -6.266 1.374 83 2HG1 ILE 11 1HG1 ILE 11 -2.233 -5.969 0.376 84 1HG2 ILE 11 1HG2 ILE 11 0.792 -8.699 -0.801 85 2HG2 ILE 11 2HG2 ILE 11 0.080 -8.878 0.803 86 3HG2 ILE 11 3HG2 ILE 11 1.076 -7.470 0.432 87 1HD1 ILE 11 1HD1 ILE 11 -1.757 -8.519 1.894 88 2HD1 ILE 11 2HD1 ILE 11 -3.233 -8.016 1.070 89 3HD1 ILE 11 3HD1 ILE 11 -2.689 -7.154 2.510 90 HA PRO 12 HA PRO 12 0.124 -7.254 -5.581 91 1HB PRO 12 2HB PRO 12 2.711 -8.112 -5.805 92 2HB PRO 12 1HB PRO 12 2.230 -6.416 -5.917 93 1HG PRO 12 2HG PRO 12 3.359 -7.914 -3.586 94 2HG PRO 12 1HG PRO 12 3.747 -6.283 -4.162 95 1HD PRO 12 2HD PRO 12 2.124 -6.705 -2.051 96 2HD PRO 12 1HD PRO 12 1.874 -5.353 -3.175 97 H TYR 13 H TYR 13 -0.436 -9.032 -3.164 98 HA TYR 13 HA TYR 13 -0.574 -11.488 -4.607 99 1HB TYR 13 2HB TYR 13 1.334 -11.319 -2.266 100 2HB TYR 13 1HB TYR 13 0.778 -12.824 -2.990 101 HD1 TYR 13 HD1 TYR 13 2.965 -9.927 -3.377 102 HD2 TYR 13 HD2 TYR 13 1.537 -13.486 -5.218 103 HE1 TYR 13 HE1 TYR 13 4.803 -9.814 -5.008 104 HE2 TYR 13 HE2 TYR 13 3.371 -13.384 -6.853 105 HH TYR 13 HH TYR 13 5.522 -10.624 -7.032 106 H TYR 14 H TYR 14 -2.234 -9.567 -3.106 107 HA TYR 14 HA TYR 14 -3.732 -11.521 -1.576 108 1HB TYR 14 2HB TYR 14 -2.082 -9.515 -0.298 109 2HB TYR 14 1HB TYR 14 -3.779 -9.286 0.115 110 HD1 TYR 14 HD1 TYR 14 -4.934 -11.819 0.463 111 HD2 TYR 14 HD2 TYR 14 -0.936 -10.654 1.333 112 HE1 TYR 14 HE1 TYR 14 -4.773 -13.629 2.121 113 HE2 TYR 14 HE2 TYR 14 -0.763 -12.461 2.992 114 HH TYR 14 HH TYR 14 -2.300 -13.818 4.402 115 H LEU 15 H LEU 15 -3.430 -8.280 -2.899 116 HA LEU 15 HA LEU 15 -6.239 -8.320 -3.615 117 1HB LEU 15 2HB LEU 15 -5.603 -5.736 -2.459 118 2HB LEU 15 1HB LEU 15 -7.003 -6.761 -2.210 119 HG LEU 15 HG LEU 15 -5.398 -8.128 -0.676 120 1HD1 LEU 15 1HD1 LEU 15 -3.774 -6.612 0.465 121 2HD1 LEU 15 2HD1 LEU 15 -4.023 -5.455 -0.842 122 3HD1 LEU 15 3HD1 LEU 15 -3.337 -7.043 -1.188 123 1HD2 LEU 15 1HD2 LEU 15 -6.297 -7.041 1.162 124 2HD2 LEU 15 2HD2 LEU 15 -7.422 -6.613 -0.127 125 3HD2 LEU 15 3HD2 LEU 15 -6.200 -5.454 0.398 126 H ASP 16 H ASP 16 -6.759 -6.096 -4.736 127 HA ASP 16 HA ASP 16 -4.448 -5.176 -6.289 128 1HB ASP 16 2HB ASP 16 -7.006 -6.339 -7.367 129 2HB ASP 16 1HB ASP 16 -6.062 -5.193 -8.315 130 H CYS 17 H CYS 17 -5.470 -3.338 -7.891 131 HA CYS 17 HA CYS 17 -6.828 -1.501 -6.042 132 1HB CYS 17 2HB CYS 17 -4.496 -1.072 -7.283 133 2HB CYS 17 1HB CYS 17 -5.577 -0.465 -8.529 134 H CYS 18 H CYS 18 -7.901 0.368 -7.530 135 HA CYS 18 HA CYS 18 -10.134 -0.959 -8.760 136 1HB CYS 18 2HB CYS 18 -9.825 1.994 -8.922 137 2HB CYS 18 1HB CYS 18 -11.250 1.028 -8.579 138 H GLU 19 H GLU 19 -8.508 1.918 -10.003 139 HA GLU 19 HA GLU 19 -7.163 1.166 -12.163 140 1HB GLU 19 2HB GLU 19 -9.103 -0.311 -12.725 141 2HB GLU 19 1HB GLU 19 -10.067 1.135 -12.992 142 1HG GLU 19 2HG GLU 19 -8.911 1.713 -14.908 143 2HG GLU 19 1HG GLU 19 -7.501 0.749 -14.470 144 HA PRO 20 HA PRO 20 -6.693 1.698 -14.105 145 1HB PRO 20 2HB PRO 20 -4.979 3.287 -15.389 146 2HB PRO 20 1HB PRO 20 -6.674 3.191 -15.883 147 1HG PRO 20 2HG PRO 20 -5.276 5.302 -14.301 148 2HG PRO 20 1HG PRO 20 -6.534 5.475 -15.537 149 1HD PRO 20 2HD PRO 20 -6.951 5.522 -12.780 150 2HD PRO 20 1HD PRO 20 -8.202 5.246 -14.007 151 H LEU 21 H LEU 21 -6.185 1.856 -11.438 152 HA LEU 21 HA LEU 21 -3.345 2.501 -11.136 153 1HB LEU 21 2HB LEU 21 -5.320 1.657 -9.019 154 2HB LEU 21 1HB LEU 21 -3.708 2.295 -8.755 155 HG LEU 21 HG LEU 21 -5.811 3.922 -10.156 156 1HD1 LEU 21 1HD1 LEU 21 -6.585 3.079 -7.887 157 2HD1 LEU 21 2HD1 LEU 21 -6.568 4.826 -8.126 158 3HD1 LEU 21 3HD1 LEU 21 -5.281 4.049 -7.202 159 1HD2 LEU 21 1HD2 LEU 21 -3.823 5.019 -10.431 160 2HD2 LEU 21 2HD2 LEU 21 -3.139 4.389 -8.931 161 3HD2 LEU 21 3HD2 LEU 21 -4.331 5.688 -8.880 162 H GLU 22 H GLU 22 -2.148 0.927 -9.619 163 HA GLU 22 HA GLU 22 -2.831 -1.858 -10.252 164 1HB GLU 22 2HB GLU 22 -1.093 -0.943 -11.836 165 2HB GLU 22 1HB GLU 22 -0.028 -0.751 -10.450 166 1HG GLU 22 2HG GLU 22 0.662 -2.773 -11.248 167 2HG GLU 22 1HG GLU 22 -0.548 -3.282 -10.071 168 H CYS 23 H CYS 23 -3.218 -2.723 -8.320 169 HA CYS 23 HA CYS 23 -2.135 -1.802 -5.883 170 1HB CYS 23 2HB CYS 23 -4.125 -2.918 -5.571 171 2HB CYS 23 1HB CYS 23 -3.739 -4.160 -6.755 172 H LYS 24 H LYS 24 0.140 -1.748 -6.229 173 HA LYS 24 HA LYS 24 1.422 -4.271 -5.583 174 1HB LYS 24 2HB LYS 24 3.214 -3.590 -7.407 175 2HB LYS 24 1HB LYS 24 1.818 -4.578 -7.817 176 1HG LYS 24 2HG LYS 24 1.290 -3.101 -9.375 177 2HG LYS 24 1HG LYS 24 0.993 -1.913 -8.105 178 1HD LYS 24 2HD LYS 24 2.646 -1.269 -9.939 179 2HD LYS 24 1HD LYS 24 3.164 -1.033 -8.268 180 1HE LYS 24 2HE LYS 24 4.733 -2.195 -10.040 181 2HE LYS 24 1HE LYS 24 4.698 -2.724 -8.359 182 1HZ LYS 24 1HZ LYS 24 2.731 -4.189 -9.499 183 2HZ LYS 24 2HZ LYS 24 4.308 -4.731 -9.216 184 3HZ LYS 24 3HZ LYS 24 3.884 -4.121 -10.736 185 H LYS 25 H LYS 25 4.055 -3.491 -5.929 186 HA LYS 25 HA LYS 25 4.468 -1.884 -3.623 187 1HB LYS 25 2HB LYS 25 5.973 -3.735 -4.456 188 2HB LYS 25 1HB LYS 25 6.528 -2.623 -5.701 189 1HG LYS 25 2HG LYS 25 7.702 -1.336 -4.229 190 2HG LYS 25 1HG LYS 25 6.648 -1.732 -2.870 191 1HD LYS 25 2HD LYS 25 8.193 -3.193 -2.206 192 2HD LYS 25 1HD LYS 25 7.800 -4.158 -3.631 193 1HE LYS 25 2HE LYS 25 9.600 -3.370 -4.828 194 2HE LYS 25 1HE LYS 25 9.692 -1.870 -3.904 195 1HZ LYS 25 1HZ LYS 25 11.033 -4.344 -3.463 196 2HZ LYS 25 2HZ LYS 25 10.188 -3.857 -2.081 197 3HZ LYS 25 3HZ LYS 25 11.332 -2.825 -2.780 198 H VAL 26 H VAL 26 4.687 0.228 -3.418 199 HA VAL 26 HA VAL 26 4.606 1.908 -5.791 200 HB VAL 26 HB VAL 26 4.798 3.174 -3.130 201 1HG1 VAL 26 1HG1 VAL 26 4.149 4.065 -5.558 202 2HG1 VAL 26 2HG1 VAL 26 3.513 4.783 -4.078 203 3HG1 VAL 26 3HG1 VAL 26 2.539 3.627 -4.986 204 1HG2 VAL 26 1HG2 VAL 26 2.543 1.326 -3.860 205 2HG2 VAL 26 2HG2 VAL 26 2.343 2.654 -2.717 206 3HG2 VAL 26 3HG2 VAL 26 3.496 1.364 -2.377 207 H ASN 27 H ASN 27 6.804 0.799 -3.403 208 HA ASN 27 HA ASN 27 8.963 2.332 -4.626 209 1HB ASN 27 2HB ASN 27 9.514 2.263 -1.864 210 2HB ASN 27 1HB ASN 27 9.210 3.676 -2.865 211 1HD2 ASN 27 1HD2 ASN 27 7.642 4.928 -2.178 212 2HD2 ASN 27 2HD2 ASN 27 6.271 4.433 -1.252 213 H TRP 28 H TRP 28 9.855 1.089 -1.691 214 HA TRP 28 HA TRP 28 10.616 -1.511 -2.818 215 1HB TRP 28 2HB TRP 28 12.823 -1.244 -2.324 216 2HB TRP 28 1HB TRP 28 12.425 0.465 -2.479 217 HD1 TRP 28 HD1 TRP 28 11.038 0.962 0.304 218 HE1 TRP 28 HE1 TRP 28 12.430 0.909 2.470 219 HE3 TRP 28 HE3 TRP 28 15.017 -1.781 -1.360 220 HZ2 TRP 28 HZ2 TRP 28 14.893 -0.156 3.353 221 HZ3 TRP 28 HZ3 TRP 28 16.849 -2.273 0.206 222 HH2 TRP 28 HH2 TRP 28 16.788 -1.476 2.513 223 H TRP 29 H TRP 29 9.130 0.213 -0.365 224 HA TRP 29 HA TRP 29 8.965 -2.194 1.291 225 1HB TRP 29 2HB TRP 29 9.783 -1.257 3.192 226 2HB TRP 29 1HB TRP 29 10.648 -0.228 2.054 227 HD1 TRP 29 HD1 TRP 29 7.566 -0.179 4.359 228 HE1 TRP 29 HE1 TRP 29 6.999 2.271 4.900 229 HE3 TRP 29 HE3 TRP 29 10.922 2.131 1.271 230 HZ2 TRP 29 HZ2 TRP 29 7.859 4.844 4.120 231 HZ3 TRP 29 HZ3 TRP 29 10.983 4.590 1.227 232 HH2 TRP 29 HH2 TRP 29 9.483 5.917 2.622 233 H ASP 30 H ASP 30 7.658 0.888 0.286 234 HA ASP 30 HA ASP 30 5.188 0.445 1.771 235 1HB ASP 30 2HB ASP 30 6.136 2.718 1.708 236 2HB ASP 30 1HB ASP 30 5.988 2.730 -0.045 237 H HIS 31 H HIS 31 3.915 -1.056 0.858 238 HA HIS 31 HA HIS 31 3.626 -1.147 -2.042 239 1HB HIS 31 2HB HIS 31 3.012 -2.996 0.214 240 2HB HIS 31 1HB HIS 31 2.042 -3.132 -1.246 241 HD1 HIS 31 HD1 HIS 31 5.691 -3.209 -0.208 242 HD2 HIS 31 HD2 HIS 31 3.192 -4.619 -3.213 243 HE1 HIS 31 HE1 HIS 31 7.124 -4.720 -1.620 244 HE2 HIS 31 HE2 HIS 31 5.610 -5.495 -3.479 245 H LYS 32 H LYS 32 2.092 0.022 -2.980 246 HA LYS 32 HA LYS 32 -0.546 0.198 -1.755 247 1HB LYS 32 2HB LYS 32 0.785 2.688 -2.801 248 2HB LYS 32 1HB LYS 32 -0.692 2.556 -1.856 249 1HG LYS 32 2HG LYS 32 0.780 1.645 0.011 250 2HG LYS 32 1HG LYS 32 2.144 2.233 -0.942 251 1HD LYS 32 2HD LYS 32 -0.181 3.961 -0.110 252 2HD LYS 32 1HD LYS 32 1.309 3.816 0.823 253 1HE LYS 32 2HE LYS 32 2.258 4.345 -1.682 254 2HE LYS 32 1HE LYS 32 0.768 5.287 -1.651 255 1HZ LYS 32 1HZ LYS 32 1.676 6.762 -0.281 256 2HZ LYS 32 2HZ LYS 32 3.170 6.038 -0.600 257 3HZ LYS 32 3HZ LYS 32 2.277 5.571 0.759 258 H CYS 33 H CYS 33 -1.219 2.333 -3.689 259 HA CYS 33 HA CYS 33 -1.504 0.616 -6.043 260 1HB CYS 33 2HB CYS 33 -3.110 2.851 -4.868 261 2HB CYS 33 1HB CYS 33 -3.283 2.440 -6.567 262 H ILE 34 H ILE 34 -0.855 1.281 -8.053 263 HA ILE 34 HA ILE 34 0.462 3.911 -8.221 264 HB ILE 34 HB ILE 34 1.795 2.450 -10.088 265 1HG1 ILE 34 2HG1 ILE 34 0.654 0.384 -9.209 266 2HG1 ILE 34 1HG1 ILE 34 2.413 0.319 -9.182 267 1HG2 ILE 34 1HG2 ILE 34 3.129 2.236 -7.541 268 2HG2 ILE 34 2HG2 ILE 34 2.345 3.806 -7.717 269 3HG2 ILE 34 3HG2 ILE 34 3.509 3.260 -8.925 270 1HD1 ILE 34 1HD1 ILE 34 1.692 -0.597 -7.145 271 2HD1 ILE 34 2HD1 ILE 34 0.534 0.707 -6.879 272 3HD1 ILE 34 3HD1 ILE 34 2.265 1.027 -6.763 273 H GLY 35 HN GLY 35 1.124 3.918 -10.877 274 1HA GLY 35 2HA GLY 35 -1.090 3.152 -12.533 275 2HA GLY 35 1HA GLY 35 -1.102 4.868 -12.156 Start of MODEL 9 1 HN PCA 1 HN PCA 1 -14.811 -8.499 -1.924 2 HA PCA 1 HA PCA 1 -13.290 -7.053 -0.325 3 1HB PCA 1 1HB PCA 1 -11.109 -7.653 -2.319 4 2HB PCA 1 2HB PCA 1 -11.002 -7.461 -0.543 5 1HG PCA 1 1HG PCA 1 -11.027 -9.934 -1.858 6 2HG PCA 1 2HG PCA 1 -11.530 -9.699 -0.157 7 H GLN 2 H GLN 2 -12.909 -4.899 -0.880 8 HA GLN 2 HA GLN 2 -14.124 -4.071 -3.379 9 1HB GLN 2 2HB GLN 2 -14.845 -2.884 -1.435 10 2HB GLN 2 1HB GLN 2 -13.188 -2.550 -0.950 11 1HG GLN 2 2HG GLN 2 -13.494 -0.568 -1.908 12 2HG GLN 2 1HG GLN 2 -13.297 -1.425 -3.435 13 1HE2 GLN 2 1HE2 GLN 2 -14.846 0.977 -2.786 14 2HE2 GLN 2 2HE2 GLN 2 -16.471 0.632 -3.257 15 H CYS 3 H CYS 3 -13.112 -2.086 -4.427 16 HA CYS 3 HA CYS 3 -10.663 -2.839 -5.587 17 1HB CYS 3 2HB CYS 3 -10.887 -0.981 -6.937 18 2HB CYS 3 1HB CYS 3 -12.554 -1.191 -6.423 19 H VAL 4 H VAL 4 -9.272 -0.405 -5.741 20 HA VAL 4 HA VAL 4 -8.454 0.288 -3.037 21 HB VAL 4 HB VAL 4 -6.377 -0.643 -5.009 22 1HG1 VAL 4 1HG1 VAL 4 -5.852 1.010 -3.132 23 2HG1 VAL 4 2HG1 VAL 4 -4.838 -0.427 -3.257 24 3HG1 VAL 4 3HG1 VAL 4 -6.108 -0.347 -2.035 25 1HG2 VAL 4 1HG2 VAL 4 -7.358 -2.196 -2.627 26 2HG2 VAL 4 2HG2 VAL 4 -6.230 -2.722 -3.875 27 3HG2 VAL 4 3HG2 VAL 4 -7.932 -2.482 -4.269 28 H LYS 5 H LYS 5 -8.076 2.395 -2.935 29 HA LYS 5 HA LYS 5 -8.117 3.969 -5.334 30 1HB LYS 5 2HB LYS 5 -8.830 4.371 -2.654 31 2HB LYS 5 1HB LYS 5 -7.515 5.489 -2.975 32 1HG LYS 5 2HG LYS 5 -9.131 6.840 -3.721 33 2HG LYS 5 1HG LYS 5 -9.052 5.850 -5.179 34 1HD LYS 5 2HD LYS 5 -11.094 5.016 -4.831 35 2HD LYS 5 1HD LYS 5 -10.736 4.655 -3.141 36 1HE LYS 5 2HE LYS 5 -11.337 7.442 -4.084 37 2HE LYS 5 1HE LYS 5 -12.613 6.319 -3.621 38 1HZ LYS 5 1HZ LYS 5 -10.499 6.481 -1.687 39 2HZ LYS 5 2HZ LYS 5 -12.171 6.611 -1.471 40 3HZ LYS 5 3HZ LYS 5 -11.272 7.966 -1.936 41 H LYS 6 H LYS 6 -6.539 5.554 -5.913 42 HA LYS 6 HA LYS 6 -3.901 4.598 -5.918 43 1HB LYS 6 2HB LYS 6 -4.119 5.999 -7.681 44 2HB LYS 6 1HB LYS 6 -5.307 7.005 -6.864 45 1HG LYS 6 2HG LYS 6 -3.390 8.340 -7.290 46 2HG LYS 6 1HG LYS 6 -3.443 8.019 -5.556 47 1HD LYS 6 2HD LYS 6 -1.752 6.319 -5.768 48 2HD LYS 6 1HD LYS 6 -1.782 6.453 -7.527 49 1HE LYS 6 2HE LYS 6 -1.295 9.031 -6.752 50 2HE LYS 6 1HE LYS 6 -0.419 8.105 -5.534 51 1HZ LYS 6 1HZ LYS 6 0.885 8.682 -7.563 52 2HZ LYS 6 2HZ LYS 6 -0.123 7.655 -8.451 53 3HZ LYS 6 3HZ LYS 6 0.840 7.028 -7.211 54 H ASP 7 H ASP 7 -2.079 5.167 -4.776 55 HA ASP 7 HA ASP 7 -0.785 6.126 -3.135 56 1HB ASP 7 2HB ASP 7 -1.895 8.274 -3.515 57 2HB ASP 7 1HB ASP 7 -3.260 7.761 -2.527 58 H GLU 8 H GLU 8 -3.564 4.362 -2.815 59 HA GLU 8 HA GLU 8 -3.424 4.056 0.074 60 1HB GLU 8 2HB GLU 8 -5.271 3.057 -2.067 61 2HB GLU 8 1HB GLU 8 -5.248 2.272 -0.495 62 1HG GLU 8 2HG GLU 8 -5.456 4.854 0.254 63 2HG GLU 8 1HG GLU 8 -6.308 4.893 -1.287 64 H LEU 9 H LEU 9 -2.750 2.198 1.126 65 HA LEU 9 HA LEU 9 -0.661 0.753 -0.001 66 1HB LEU 9 2HB LEU 9 -2.415 0.258 2.386 67 2HB LEU 9 1HB LEU 9 -1.085 -0.806 1.974 68 HG LEU 9 HG LEU 9 -0.903 1.336 3.637 69 1HD1 LEU 9 1HD1 LEU 9 1.182 0.577 3.900 70 2HD1 LEU 9 2HD1 LEU 9 1.582 0.813 2.198 71 3HD1 LEU 9 3HD1 LEU 9 0.732 -0.646 2.711 72 1HD2 LEU 9 1HD2 LEU 9 -0.968 2.486 1.101 73 2HD2 LEU 9 2HD2 LEU 9 0.734 2.485 1.564 74 3HD2 LEU 9 3HD2 LEU 9 -0.463 3.253 2.606 75 H CYS 10 H CYS 10 -0.714 -1.789 0.123 76 HA CYS 10 HA CYS 10 -3.015 -3.214 -0.552 77 1HB CYS 10 2HB CYS 10 -2.439 -1.550 -2.613 78 2HB CYS 10 1HB CYS 10 -1.488 -2.958 -3.070 79 H ILE 11 H ILE 11 -2.305 -5.274 -1.933 80 HA ILE 11 HA ILE 11 0.421 -6.052 -1.240 81 HB ILE 11 HB ILE 11 -1.721 -8.022 -0.639 82 1HG1 ILE 11 2HG1 ILE 11 -0.914 -6.361 1.655 83 2HG1 ILE 11 1HG1 ILE 11 -1.943 -5.541 0.486 84 1HG2 ILE 11 1HG2 ILE 11 0.811 -8.400 -0.585 85 2HG2 ILE 11 2HG2 ILE 11 -0.127 -8.947 0.805 86 3HG2 ILE 11 3HG2 ILE 11 0.791 -7.444 0.896 87 1HD1 ILE 11 1HD1 ILE 11 -2.826 -8.228 1.277 88 2HD1 ILE 11 2HD1 ILE 11 -3.751 -6.745 1.045 89 3HD1 ILE 11 3HD1 ILE 11 -2.860 -7.003 2.545 90 HA PRO 12 HA PRO 12 -0.125 -7.272 -5.564 91 1HB PRO 12 2HB PRO 12 2.560 -8.393 -4.901 92 2HB PRO 12 1HB PRO 12 2.053 -7.442 -6.301 93 1HG PRO 12 2HG PRO 12 3.460 -6.320 -4.341 94 2HG PRO 12 1HG PRO 12 2.146 -5.436 -5.139 95 1HD PRO 12 2HD PRO 12 2.211 -6.719 -2.449 96 2HD PRO 12 1HD PRO 12 1.370 -5.248 -2.980 97 H TYR 13 H TYR 13 -0.338 -9.249 -6.669 98 HA TYR 13 HA TYR 13 -0.732 -11.475 -6.952 99 1HB TYR 13 2HB TYR 13 0.434 -12.042 -4.239 100 2HB TYR 13 1HB TYR 13 0.416 -13.073 -5.666 101 HD1 TYR 13 HD1 TYR 13 1.958 -12.599 -7.550 102 HD2 TYR 13 HD2 TYR 13 2.163 -10.432 -3.895 103 HE1 TYR 13 HE1 TYR 13 4.209 -11.814 -8.150 104 HE2 TYR 13 HE2 TYR 13 4.415 -9.640 -4.484 105 HH TYR 13 HH TYR 13 6.340 -10.953 -6.568 106 H TYR 14 H TYR 14 -1.614 -9.896 -3.989 107 HA TYR 14 HA TYR 14 -3.799 -11.799 -3.549 108 1HB TYR 14 2HB TYR 14 -3.168 -9.495 -1.731 109 2HB TYR 14 1HB TYR 14 -3.919 -11.039 -1.343 110 HD1 TYR 14 HD1 TYR 14 -0.828 -9.203 -1.581 111 HD2 TYR 14 HD2 TYR 14 -2.491 -13.108 -1.289 112 HE1 TYR 14 HE1 TYR 14 1.355 -10.071 -0.857 113 HE2 TYR 14 HE2 TYR 14 -0.313 -13.988 -0.563 114 HH TYR 14 HH TYR 14 2.573 -11.998 -0.583 115 H LEU 15 H LEU 15 -4.137 -8.590 -2.363 116 HA LEU 15 HA LEU 15 -6.623 -8.236 -3.699 117 1HB LEU 15 2HB LEU 15 -5.690 -5.749 -2.703 118 2HB LEU 15 1HB LEU 15 -6.933 -6.793 -2.043 119 HG LEU 15 HG LEU 15 -5.102 -8.053 -0.851 120 1HD1 LEU 15 1HD1 LEU 15 -2.949 -7.105 -0.638 121 2HD1 LEU 15 2HD1 LEU 15 -3.436 -5.628 -1.469 122 3HD1 LEU 15 3HD1 LEU 15 -3.300 -7.140 -2.366 123 1HD2 LEU 15 1HD2 LEU 15 -5.116 -5.185 -0.005 124 2HD2 LEU 15 2HD2 LEU 15 -5.196 -6.645 0.982 125 3HD2 LEU 15 3HD2 LEU 15 -6.599 -6.138 0.042 126 H ASP 16 H ASP 16 -7.119 -6.175 -4.905 127 HA ASP 16 HA ASP 16 -4.906 -5.334 -6.638 128 1HB ASP 16 2HB ASP 16 -7.177 -6.936 -7.420 129 2HB ASP 16 1HB ASP 16 -7.195 -5.395 -8.272 130 H CYS 17 H CYS 17 -5.436 -3.336 -7.872 131 HA CYS 17 HA CYS 17 -6.857 -1.498 -6.137 132 1HB CYS 17 2HB CYS 17 -5.153 -1.025 -8.588 133 2HB CYS 17 1HB CYS 17 -5.852 0.237 -7.590 134 H CYS 18 H CYS 18 -8.273 0.166 -7.113 135 HA CYS 18 HA CYS 18 -10.449 -0.963 -8.417 136 1HB CYS 18 2HB CYS 18 -9.980 1.946 -8.793 137 2HB CYS 18 1HB CYS 18 -11.434 1.091 -8.283 138 H GLU 19 H GLU 19 -8.875 1.788 -9.931 139 HA GLU 19 HA GLU 19 -7.677 0.748 -12.129 140 1HB GLU 19 2HB GLU 19 -10.129 -0.263 -12.317 141 2HB GLU 19 1HB GLU 19 -10.453 1.291 -13.073 142 1HG GLU 19 2HG GLU 19 -9.948 -0.140 -14.842 143 2HG GLU 19 1HG GLU 19 -8.472 0.791 -14.585 144 HA PRO 20 HA PRO 20 -7.186 1.183 -14.069 145 1HB PRO 20 2HB PRO 20 -5.273 2.498 -15.386 146 2HB PRO 20 1HB PRO 20 -6.969 2.636 -15.867 147 1HG PRO 20 2HG PRO 20 -5.280 4.542 -14.305 148 2HG PRO 20 1HG PRO 20 -6.491 4.882 -15.553 149 1HD PRO 20 2HD PRO 20 -6.926 5.041 -12.813 150 2HD PRO 20 1HD PRO 20 -8.196 4.883 -14.042 151 H LEU 21 H LEU 21 -6.342 2.555 -11.338 152 HA LEU 21 HA LEU 21 -3.552 2.368 -11.133 153 1HB LEU 21 2HB LEU 21 -5.546 1.854 -8.932 154 2HB LEU 21 1HB LEU 21 -3.875 2.352 -8.744 155 HG LEU 21 HG LEU 21 -5.908 4.070 -10.150 156 1HD1 LEU 21 1HD1 LEU 21 -6.644 3.553 -7.834 157 2HD1 LEU 21 2HD1 LEU 21 -6.272 5.256 -8.099 158 3HD1 LEU 21 3HD1 LEU 21 -5.123 4.226 -7.246 159 1HD2 LEU 21 1HD2 LEU 21 -3.878 5.504 -8.789 160 2HD2 LEU 21 2HD2 LEU 21 -4.161 5.385 -10.525 161 3HD2 LEU 21 3HD2 LEU 21 -3.102 4.224 -9.723 162 H GLU 22 H GLU 22 -2.462 0.759 -9.603 163 HA GLU 22 HA GLU 22 -3.465 -1.965 -10.078 164 1HB GLU 22 2HB GLU 22 -1.153 -0.799 -11.234 165 2HB GLU 22 1HB GLU 22 -0.602 -1.968 -10.040 166 1HG GLU 22 2HG GLU 22 -2.516 -3.404 -11.286 167 2HG GLU 22 1HG GLU 22 -1.963 -2.381 -12.610 168 H CYS 23 H CYS 23 -2.942 -3.504 -8.507 169 HA CYS 23 HA CYS 23 -2.350 -2.363 -5.892 170 1HB CYS 23 2HB CYS 23 -4.321 -3.774 -6.069 171 2HB CYS 23 1HB CYS 23 -3.354 -5.095 -6.714 172 H LYS 24 H LYS 24 -0.081 -2.045 -6.133 173 HA LYS 24 HA LYS 24 1.442 -4.446 -5.549 174 1HB LYS 24 2HB LYS 24 3.207 -3.527 -7.286 175 2HB LYS 24 1HB LYS 24 1.925 -4.624 -7.780 176 1HG LYS 24 2HG LYS 24 1.336 -3.142 -9.312 177 2HG LYS 24 1HG LYS 24 0.842 -2.059 -8.008 178 1HD LYS 24 2HD LYS 24 2.480 -1.111 -9.691 179 2HD LYS 24 1HD LYS 24 2.935 -0.964 -7.992 180 1HE LYS 24 2HE LYS 24 4.150 -3.238 -8.431 181 2HE LYS 24 1HE LYS 24 4.065 -2.730 -10.118 182 1HZ LYS 24 1HZ LYS 24 6.116 -1.968 -9.273 183 2HZ LYS 24 2HZ LYS 24 5.407 -1.334 -7.875 184 3HZ LYS 24 3HZ LYS 24 5.124 -0.601 -9.371 185 H LYS 25 H LYS 25 3.959 -3.570 -5.563 186 HA LYS 25 HA LYS 25 4.030 -1.762 -3.339 187 1HB LYS 25 2HB LYS 25 5.607 -3.590 -3.414 188 2HB LYS 25 1HB LYS 25 6.226 -3.048 -4.968 189 1HG LYS 25 2HG LYS 25 7.372 -1.268 -4.040 190 2HG LYS 25 1HG LYS 25 6.369 -1.247 -2.588 191 1HD LYS 25 2HD LYS 25 8.635 -2.109 -2.151 192 2HD LYS 25 1HD LYS 25 7.386 -3.309 -1.820 193 1HE LYS 25 2HE LYS 25 8.347 -4.724 -3.233 194 2HE LYS 25 1HE LYS 25 8.170 -3.557 -4.543 195 1HZ LYS 25 1HZ LYS 25 10.337 -3.171 -4.510 196 2HZ LYS 25 2HZ LYS 25 10.522 -4.425 -3.390 197 3HZ LYS 25 3HZ LYS 25 10.325 -2.834 -2.853 198 H VAL 26 H VAL 26 4.456 0.335 -3.290 199 HA VAL 26 HA VAL 26 4.692 1.763 -5.814 200 HB VAL 26 HB VAL 26 4.766 3.314 -3.319 201 1HG1 VAL 26 1HG1 VAL 26 4.171 3.807 -5.932 202 2HG1 VAL 26 2HG1 VAL 26 3.719 4.847 -4.580 203 3HG1 VAL 26 3HG1 VAL 26 2.564 3.676 -5.217 204 1HG2 VAL 26 1HG2 VAL 26 3.211 1.128 -3.102 205 2HG2 VAL 26 2HG2 VAL 26 2.075 2.239 -3.866 206 3HG2 VAL 26 3HG2 VAL 26 2.838 2.672 -2.336 207 H ASN 27 H ASN 27 6.597 0.760 -3.150 208 HA ASN 27 HA ASN 27 8.936 2.086 -4.299 209 1HB ASN 27 2HB ASN 27 9.043 2.040 -1.407 210 2HB ASN 27 1HB ASN 27 9.388 3.357 -2.517 211 1HD2 ASN 27 1HD2 ASN 27 8.316 5.009 -1.643 212 2HD2 ASN 27 2HD2 ASN 27 6.620 5.029 -1.315 213 H TRP 28 H TRP 28 9.604 0.917 -1.270 214 HA TRP 28 HA TRP 28 10.234 -1.773 -2.249 215 1HB TRP 28 2HB TRP 28 12.445 -1.634 -1.719 216 2HB TRP 28 1HB TRP 28 12.169 0.079 -2.017 217 HD1 TRP 28 HD1 TRP 28 10.745 0.815 0.738 218 HE1 TRP 28 HE1 TRP 28 12.137 0.873 2.901 219 HE3 TRP 28 HE3 TRP 28 14.655 -2.129 -0.735 220 HZ2 TRP 28 HZ2 TRP 28 14.574 -0.187 3.856 221 HZ3 TRP 28 HZ3 TRP 28 16.476 -2.558 0.863 222 HH2 TRP 28 HH2 TRP 28 16.436 -1.606 3.110 223 H TRP 29 H TRP 29 9.061 0.267 0.207 224 HA TRP 29 HA TRP 29 8.683 -2.056 1.971 225 1HB TRP 29 2HB TRP 29 9.450 -0.972 3.826 226 2HB TRP 29 1HB TRP 29 10.413 -0.113 2.628 227 HD1 TRP 29 HD1 TRP 29 7.133 0.337 4.630 228 HE1 TRP 29 HE1 TRP 29 6.733 2.859 4.951 229 HE3 TRP 29 HE3 TRP 29 11.018 2.137 1.838 230 HZ2 TRP 29 HZ2 TRP 29 7.907 5.289 4.127 231 HZ3 TRP 29 HZ3 TRP 29 11.309 4.573 1.654 232 HH2 TRP 29 HH2 TRP 29 9.784 6.116 2.776 233 H ASP 30 H ASP 30 7.437 0.825 0.527 234 HA ASP 30 HA ASP 30 4.912 0.551 1.996 235 1HB ASP 30 2HB ASP 30 6.398 2.797 1.298 236 2HB ASP 30 1HB ASP 30 5.063 2.793 0.154 237 H HIS 31 H HIS 31 3.551 -0.815 1.034 238 HA HIS 31 HA HIS 31 3.464 -0.968 -1.884 239 1HB HIS 31 2HB HIS 31 2.658 -2.754 0.354 240 2HB HIS 31 1HB HIS 31 1.723 -2.854 -1.131 241 HD1 HIS 31 HD1 HIS 31 5.409 -2.914 -0.165 242 HD2 HIS 31 HD2 HIS 31 2.764 -4.640 -2.866 243 HE1 HIS 31 HE1 HIS 31 6.769 -4.580 -1.468 244 HE2 HIS 31 HE2 HIS 31 5.167 -5.553 -3.150 245 H LYS 32 H LYS 32 1.889 -0.012 -3.030 246 HA LYS 32 HA LYS 32 -0.715 0.440 -1.832 247 1HB LYS 32 2HB LYS 32 1.208 2.607 -2.550 248 2HB LYS 32 1HB LYS 32 -0.500 2.871 -2.863 249 1HG LYS 32 2HG LYS 32 -0.758 3.486 -0.759 250 2HG LYS 32 1HG LYS 32 -0.310 1.859 -0.246 251 1HD LYS 32 2HD LYS 32 1.123 3.451 0.854 252 2HD LYS 32 1HD LYS 32 2.072 2.541 -0.324 253 1HE LYS 32 2HE LYS 32 2.690 4.438 -1.292 254 2HE LYS 32 1HE LYS 32 1.003 4.808 -1.642 255 1HZ LYS 32 1HZ LYS 32 1.712 6.607 -0.395 256 2HZ LYS 32 2HZ LYS 32 2.639 5.663 0.658 257 3HZ LYS 32 3HZ LYS 32 0.950 5.640 0.766 258 H CYS 33 H CYS 33 -1.349 2.390 -3.895 259 HA CYS 33 HA CYS 33 -1.672 0.555 -6.157 260 1HB CYS 33 2HB CYS 33 -3.288 2.823 -5.049 261 2HB CYS 33 1HB CYS 33 -3.497 2.326 -6.720 262 H ILE 34 H ILE 34 -1.063 1.146 -8.207 263 HA ILE 34 HA ILE 34 0.126 3.816 -8.547 264 HB ILE 34 HB ILE 34 1.600 2.252 -10.248 265 1HG1 ILE 34 2HG1 ILE 34 2.386 0.328 -9.048 266 2HG1 ILE 34 1HG1 ILE 34 1.454 0.770 -7.619 267 1HG2 ILE 34 1HG2 ILE 34 3.450 2.766 -8.833 268 2HG2 ILE 34 2HG2 ILE 34 2.400 2.932 -7.426 269 3HG2 ILE 34 3HG2 ILE 34 2.315 4.112 -8.734 270 1HD1 ILE 34 1HD1 ILE 34 0.260 -0.973 -8.604 271 2HD1 ILE 34 2HD1 ILE 34 0.474 -0.322 -10.229 272 3HD1 ILE 34 3HD1 ILE 34 -0.606 0.483 -9.092 273 H GLY 35 HN GLY 35 0.963 3.247 -11.246 274 1HA GLY 35 2HA GLY 35 -0.974 2.235 -12.938 275 2HA GLY 35 1HA GLY 35 -1.459 3.890 -12.601 Start of MODEL 10 1 HN PCA 1 HN PCA 1 -14.320 -7.941 -2.028 2 HA PCA 1 HA PCA 1 -11.945 -7.414 -1.531 3 1HB PCA 1 1HB PCA 1 -10.627 -7.973 -3.960 4 2HB PCA 1 2HB PCA 1 -10.700 -9.083 -2.560 5 1HG PCA 1 1HG PCA 1 -12.147 -9.253 -5.146 6 2HG PCA 1 2HG PCA 1 -11.968 -10.501 -3.875 7 H GLN 2 H GLN 2 -13.620 -5.528 -1.872 8 HA GLN 2 HA GLN 2 -14.058 -4.013 -4.018 9 1HB GLN 2 2HB GLN 2 -13.263 -2.040 -2.290 10 2HB GLN 2 1HB GLN 2 -14.841 -2.818 -2.282 11 1HG GLN 2 2HG GLN 2 -14.419 -3.968 -0.391 12 2HG GLN 2 1HG GLN 2 -12.711 -4.183 -0.770 13 1HE2 GLN 2 1HE2 GLN 2 -15.086 -1.817 0.315 14 2HE2 GLN 2 2HE2 GLN 2 -13.986 -0.871 1.253 15 H CYS 3 H CYS 3 -13.027 -2.449 -5.267 16 HA CYS 3 HA CYS 3 -10.453 -2.928 -6.112 17 1HB CYS 3 2HB CYS 3 -10.644 -1.041 -7.444 18 2HB CYS 3 1HB CYS 3 -12.336 -1.380 -7.105 19 H VAL 4 H VAL 4 -9.171 -0.432 -6.131 20 HA VAL 4 HA VAL 4 -8.676 0.415 -3.423 21 HB VAL 4 HB VAL 4 -6.360 -0.787 -4.919 22 1HG1 VAL 4 1HG1 VAL 4 -5.571 -0.754 -2.389 23 2HG1 VAL 4 2HG1 VAL 4 -6.739 0.565 -2.308 24 3HG1 VAL 4 3HG1 VAL 4 -5.392 0.648 -3.442 25 1HG2 VAL 4 1HG2 VAL 4 -7.354 -2.127 -2.492 26 2HG2 VAL 4 2HG2 VAL 4 -6.658 -2.810 -3.962 27 3HG2 VAL 4 3HG2 VAL 4 -8.348 -2.307 -3.937 28 H LYS 5 H LYS 5 -8.377 2.499 -3.531 29 HA LYS 5 HA LYS 5 -7.791 3.781 -6.037 30 1HB LYS 5 2HB LYS 5 -9.218 4.479 -3.738 31 2HB LYS 5 1HB LYS 5 -7.844 5.572 -3.784 32 1HG LYS 5 2HG LYS 5 -8.867 6.807 -5.302 33 2HG LYS 5 1HG LYS 5 -8.916 5.426 -6.400 34 1HD LYS 5 2HD LYS 5 -11.129 5.386 -6.188 35 2HD LYS 5 1HD LYS 5 -10.931 5.003 -4.476 36 1HE LYS 5 2HE LYS 5 -11.559 7.582 -5.792 37 2HE LYS 5 1HE LYS 5 -12.150 6.913 -4.271 38 1HZ LYS 5 1HZ LYS 5 -10.664 8.120 -3.189 39 2HZ LYS 5 2HZ LYS 5 -10.133 8.799 -4.645 40 3HZ LYS 5 3HZ LYS 5 -9.393 7.401 -4.044 41 H LYS 6 H LYS 6 -6.104 5.338 -6.349 42 HA LYS 6 HA LYS 6 -3.568 4.470 -5.582 43 1HB LYS 6 2HB LYS 6 -3.910 5.844 -7.559 44 2HB LYS 6 1HB LYS 6 -4.449 7.190 -6.565 45 1HG LYS 6 2HG LYS 6 -1.737 6.055 -6.101 46 2HG LYS 6 1HG LYS 6 -2.009 7.097 -7.499 47 1HD LYS 6 2HD LYS 6 -3.052 8.033 -4.887 48 2HD LYS 6 1HD LYS 6 -1.301 8.050 -5.110 49 1HE LYS 6 2HE LYS 6 -1.518 9.427 -7.075 50 2HE LYS 6 1HE LYS 6 -3.277 9.311 -7.007 51 1HZ LYS 6 1HZ LYS 6 -3.078 10.394 -4.751 52 2HZ LYS 6 2HZ LYS 6 -2.733 11.380 -6.082 53 3HZ LYS 6 3HZ LYS 6 -1.472 10.746 -5.151 54 H ASP 7 H ASP 7 -2.124 5.114 -4.023 55 HA ASP 7 HA ASP 7 -1.316 6.416 -2.251 56 1HB ASP 7 2HB ASP 7 -2.908 8.244 -2.803 57 2HB ASP 7 1HB ASP 7 -4.168 7.380 -1.926 58 H GLU 8 H GLU 8 -3.909 4.234 -2.404 59 HA GLU 8 HA GLU 8 -3.911 3.660 0.447 60 1HB GLU 8 2HB GLU 8 -5.504 2.676 -1.900 61 2HB GLU 8 1HB GLU 8 -5.522 1.794 -0.379 62 1HG GLU 8 2HG GLU 8 -6.076 4.176 0.600 63 2HG GLU 8 1HG GLU 8 -6.648 4.457 -1.045 64 H LEU 9 H LEU 9 -3.355 1.600 1.309 65 HA LEU 9 HA LEU 9 -1.033 0.462 0.105 66 1HB LEU 9 2HB LEU 9 -2.646 -0.188 2.558 67 2HB LEU 9 1HB LEU 9 -1.266 -1.150 2.071 68 HG LEU 9 HG LEU 9 -1.246 1.108 3.701 69 1HD1 LEU 9 1HD1 LEU 9 1.208 0.117 2.316 70 2HD1 LEU 9 2HD1 LEU 9 0.323 -0.935 3.420 71 3HD1 LEU 9 3HD1 LEU 9 0.985 0.594 4.000 72 1HD2 LEU 9 1HD2 LEU 9 -1.059 2.866 2.334 73 2HD2 LEU 9 2HD2 LEU 9 -0.750 1.850 0.925 74 3HD2 LEU 9 3HD2 LEU 9 0.571 2.276 2.012 75 H CYS 10 H CYS 10 -0.921 -2.087 0.198 76 HA CYS 10 HA CYS 10 -3.108 -3.695 -0.355 77 1HB CYS 10 2HB CYS 10 -3.208 -2.031 -2.334 78 2HB CYS 10 1HB CYS 10 -1.810 -2.907 -2.946 79 H ILE 11 H ILE 11 -2.282 -5.532 -2.083 80 HA ILE 11 HA ILE 11 0.525 -6.082 -1.523 81 HB ILE 11 HB ILE 11 -1.309 -8.382 -1.257 82 1HG1 ILE 11 2HG1 ILE 11 -0.880 -6.646 1.152 83 2HG1 ILE 11 1HG1 ILE 11 -2.241 -6.345 0.076 84 1HG2 ILE 11 1HG2 ILE 11 0.381 -8.790 0.655 85 2HG2 ILE 11 2HG2 ILE 11 1.293 -7.477 -0.089 86 3HG2 ILE 11 3HG2 ILE 11 0.934 -8.935 -1.013 87 1HD1 ILE 11 1HD1 ILE 11 -2.233 -9.105 0.626 88 2HD1 ILE 11 2HD1 ILE 11 -3.391 -7.886 1.158 89 3HD1 ILE 11 3HD1 ILE 11 -1.989 -8.266 2.159 90 HA PRO 12 HA PRO 12 0.248 -7.134 -5.846 91 1HB PRO 12 2HB PRO 12 2.799 -8.054 -6.099 92 2HB PRO 12 1HB PRO 12 2.390 -6.336 -6.054 93 1HG PRO 12 2HG PRO 12 3.408 -8.100 -3.861 94 2HG PRO 12 1HG PRO 12 3.882 -6.442 -4.275 95 1HD PRO 12 2HD PRO 12 2.191 -6.995 -2.242 96 2HD PRO 12 1HD PRO 12 2.048 -5.519 -3.219 97 H TYR 13 H TYR 13 -0.515 -9.042 -3.635 98 HA TYR 13 HA TYR 13 -0.617 -11.401 -5.238 99 1HB TYR 13 2HB TYR 13 0.918 -11.661 -2.651 100 2HB TYR 13 1HB TYR 13 0.671 -12.891 -3.886 101 HD1 TYR 13 HD1 TYR 13 1.876 -12.731 -6.048 102 HD2 TYR 13 HD2 TYR 13 2.663 -10.043 -2.844 103 HE1 TYR 13 HE1 TYR 13 3.990 -12.078 -7.122 104 HE2 TYR 13 HE2 TYR 13 4.779 -9.382 -3.911 105 HH TYR 13 HH TYR 13 5.573 -9.492 -6.646 106 H TYR 14 H TYR 14 -2.268 -9.474 -3.649 107 HA TYR 14 HA TYR 14 -3.901 -11.489 -2.300 108 1HB TYR 14 2HB TYR 14 -2.466 -9.316 -0.980 109 2HB TYR 14 1HB TYR 14 -4.197 -9.275 -0.659 110 HD1 TYR 14 HD1 TYR 14 -5.144 -10.721 0.924 111 HD2 TYR 14 HD2 TYR 14 -1.218 -11.493 -0.522 112 HE1 TYR 14 HE1 TYR 14 -4.867 -12.472 2.627 113 HE2 TYR 14 HE2 TYR 14 -0.931 -13.247 1.176 114 HH TYR 14 HH TYR 14 -1.962 -13.742 3.504 115 H LEU 15 H LEU 15 -4.010 -7.944 -2.435 116 HA LEU 15 HA LEU 15 -6.650 -8.153 -3.716 117 1HB LEU 15 2HB LEU 15 -6.017 -5.529 -2.693 118 2HB LEU 15 1HB LEU 15 -7.374 -6.574 -2.318 119 HG LEU 15 HG LEU 15 -5.732 -7.818 -0.771 120 1HD1 LEU 15 1HD1 LEU 15 -4.198 -5.594 -0.044 121 2HD1 LEU 15 2HD1 LEU 15 -4.039 -5.739 -1.795 122 3HD1 LEU 15 3HD1 LEU 15 -3.633 -7.105 -0.756 123 1HD2 LEU 15 1HD2 LEU 15 -5.982 -5.762 0.901 124 2HD2 LEU 15 2HD2 LEU 15 -7.349 -6.770 0.424 125 3HD2 LEU 15 3HD2 LEU 15 -7.082 -5.217 -0.366 126 H ASP 16 H ASP 16 -7.141 -5.953 -4.930 127 HA ASP 16 HA ASP 16 -4.815 -5.138 -6.514 128 1HB ASP 16 2HB ASP 16 -5.850 -5.565 -8.597 129 2HB ASP 16 1HB ASP 16 -6.127 -7.020 -7.643 130 H CYS 17 H CYS 17 -5.313 -3.213 -7.897 131 HA CYS 17 HA CYS 17 -6.869 -1.326 -6.339 132 1HB CYS 17 2HB CYS 17 -5.161 -0.804 -8.774 133 2HB CYS 17 1HB CYS 17 -5.739 0.371 -7.607 134 H CYS 18 H CYS 18 -8.242 0.270 -7.478 135 HA CYS 18 HA CYS 18 -10.300 -0.969 -8.889 136 1HB CYS 18 2HB CYS 18 -9.905 1.952 -9.261 137 2HB CYS 18 1HB CYS 18 -11.360 1.051 -8.847 138 H GLU 19 H GLU 19 -8.570 1.772 -10.288 139 HA GLU 19 HA GLU 19 -7.277 0.691 -12.409 140 1HB GLU 19 2HB GLU 19 -9.910 -0.038 -12.704 141 2HB GLU 19 1HB GLU 19 -9.805 1.396 -13.716 142 1HG GLU 19 2HG GLU 19 -7.534 -0.139 -14.303 143 2HG GLU 19 1HG GLU 19 -8.890 -1.264 -14.234 144 HA PRO 20 HA PRO 20 -6.618 1.100 -14.275 145 1HB PRO 20 2HB PRO 20 -4.592 2.335 -15.490 146 2HB PRO 20 1HB PRO 20 -6.252 2.525 -16.070 147 1HG PRO 20 2HG PRO 20 -4.583 4.396 -14.447 148 2HG PRO 20 1HG PRO 20 -5.730 4.757 -15.750 149 1HD PRO 20 2HD PRO 20 -6.267 4.941 -13.021 150 2HD PRO 20 1HD PRO 20 -7.485 4.858 -14.307 151 H LEU 21 H LEU 21 -5.838 2.611 -11.550 152 HA LEU 21 HA LEU 21 -3.121 2.373 -11.120 153 1HB LEU 21 2HB LEU 21 -5.236 1.702 -9.080 154 2HB LEU 21 1HB LEU 21 -3.608 2.275 -8.770 155 HG LEU 21 HG LEU 21 -5.496 3.989 -10.334 156 1HD1 LEU 21 1HD1 LEU 21 -5.911 3.120 -7.623 157 2HD1 LEU 21 2HD1 LEU 21 -6.915 4.157 -8.636 158 3HD1 LEU 21 3HD1 LEU 21 -5.607 4.856 -7.683 159 1HD2 LEU 21 1HD2 LEU 21 -3.446 4.997 -10.327 160 2HD2 LEU 21 2HD2 LEU 21 -2.988 4.309 -8.768 161 3HD2 LEU 21 3HD2 LEU 21 -4.113 5.665 -8.838 162 H GLU 22 H GLU 22 -2.094 0.735 -9.588 163 HA GLU 22 HA GLU 22 -3.017 -1.994 -10.141 164 1HB GLU 22 2HB GLU 22 -1.307 -1.526 -11.803 165 2HB GLU 22 1HB GLU 22 -0.202 -0.973 -10.552 166 1HG GLU 22 2HG GLU 22 0.590 -3.027 -10.392 167 2HG GLU 22 1HG GLU 22 -0.987 -3.566 -9.818 168 H CYS 23 H CYS 23 -2.898 -3.330 -8.438 169 HA CYS 23 HA CYS 23 -2.078 -2.269 -5.895 170 1HB CYS 23 2HB CYS 23 -4.018 -3.601 -5.809 171 2HB CYS 23 1HB CYS 23 -3.302 -4.865 -6.804 172 H LYS 24 H LYS 24 0.187 -1.983 -6.179 173 HA LYS 24 HA LYS 24 1.698 -4.400 -5.629 174 1HB LYS 24 2HB LYS 24 3.438 -3.497 -7.392 175 2HB LYS 24 1HB LYS 24 2.126 -4.561 -7.876 176 1HG LYS 24 2HG LYS 24 1.557 -3.047 -9.386 177 2HG LYS 24 1HG LYS 24 1.075 -1.987 -8.060 178 1HD LYS 24 2HD LYS 24 2.633 -0.868 -9.581 179 2HD LYS 24 1HD LYS 24 3.331 -1.058 -7.971 180 1HE LYS 24 2HE LYS 24 4.749 -2.792 -8.670 181 2HE LYS 24 1HE LYS 24 3.837 -3.054 -10.156 182 1HZ LYS 24 1HZ LYS 24 5.820 -1.918 -10.723 183 2HZ LYS 24 2HZ LYS 24 5.602 -0.760 -9.509 184 3HZ LYS 24 3HZ LYS 24 4.567 -0.787 -10.847 185 H LYS 25 H LYS 25 4.247 -3.367 -5.906 186 HA LYS 25 HA LYS 25 4.472 -1.800 -3.536 187 1HB LYS 25 2HB LYS 25 6.124 -3.524 -4.777 188 2HB LYS 25 1HB LYS 25 6.790 -2.008 -5.369 189 1HG LYS 25 2HG LYS 25 7.419 -1.306 -3.254 190 2HG LYS 25 1HG LYS 25 6.295 -2.403 -2.448 191 1HD LYS 25 2HD LYS 25 8.842 -2.945 -2.464 192 2HD LYS 25 1HD LYS 25 7.671 -4.237 -2.739 193 1HE LYS 25 2HE LYS 25 8.018 -3.446 -5.264 194 2HE LYS 25 1HE LYS 25 9.585 -2.968 -4.612 195 1HZ LYS 25 1HZ LYS 25 9.977 -5.119 -5.258 196 2HZ LYS 25 2HZ LYS 25 8.421 -5.654 -4.867 197 3HZ LYS 25 3HZ LYS 25 9.546 -5.359 -3.639 198 H VAL 26 H VAL 26 4.552 0.326 -3.287 199 HA VAL 26 HA VAL 26 4.400 2.032 -5.637 200 HB VAL 26 HB VAL 26 4.437 3.192 -2.903 201 1HG1 VAL 26 1HG1 VAL 26 2.637 4.567 -3.846 202 2HG1 VAL 26 2HG1 VAL 26 2.707 3.622 -5.334 203 3HG1 VAL 26 3HG1 VAL 26 4.089 4.603 -4.845 204 1HG2 VAL 26 1HG2 VAL 26 3.128 1.301 -2.377 205 2HG2 VAL 26 2HG2 VAL 26 2.267 1.371 -3.914 206 3HG2 VAL 26 3HG2 VAL 26 1.980 2.602 -2.685 207 H ASN 27 H ASN 27 6.645 1.012 -3.266 208 HA ASN 27 HA ASN 27 8.687 2.760 -4.403 209 1HB ASN 27 2HB ASN 27 8.928 2.415 -1.515 210 2HB ASN 27 1HB ASN 27 9.206 3.839 -2.502 211 1HD2 ASN 27 1HD2 ASN 27 7.360 2.640 -0.105 212 2HD2 ASN 27 2HD2 ASN 27 5.945 3.612 -0.298 213 H TRP 28 H TRP 28 9.380 1.159 -1.474 214 HA TRP 28 HA TRP 28 10.380 -1.235 -2.805 215 1HB TRP 28 2HB TRP 28 12.592 -0.881 -2.400 216 2HB TRP 28 1HB TRP 28 12.111 0.813 -2.448 217 HD1 TRP 28 HD1 TRP 28 10.821 1.087 0.415 218 HE1 TRP 28 HE1 TRP 28 12.307 0.990 2.516 219 HE3 TRP 28 HE3 TRP 28 14.865 -1.337 -1.565 220 HZ2 TRP 28 HZ2 TRP 28 14.862 0.019 3.234 221 HZ3 TRP 28 HZ3 TRP 28 16.789 -1.810 -0.105 222 HH2 TRP 28 HH2 TRP 28 16.786 -1.144 2.244 223 H TRP 29 H TRP 29 9.077 0.387 -0.137 224 HA TRP 29 HA TRP 29 9.104 -2.100 1.429 225 1HB TRP 29 2HB TRP 29 9.879 -1.100 3.320 226 2HB TRP 29 1HB TRP 29 10.615 0.005 2.165 227 HD1 TRP 29 HD1 TRP 29 7.461 -0.236 4.387 228 HE1 TRP 29 HE1 TRP 29 6.740 2.152 5.017 229 HE3 TRP 29 HE3 TRP 29 10.852 2.390 1.610 230 HZ2 TRP 29 HZ2 TRP 29 7.507 4.801 4.415 231 HZ3 TRP 29 HZ3 TRP 29 10.790 4.849 1.691 232 HH2 TRP 29 HH2 TRP 29 9.152 6.027 3.064 233 H ASP 30 H ASP 30 7.470 0.812 0.447 234 HA ASP 30 HA ASP 30 5.083 0.073 1.975 235 1HB ASP 30 2HB ASP 30 6.251 2.530 1.457 236 2HB ASP 30 1HB ASP 30 4.882 2.485 0.350 237 H HIS 31 H HIS 31 3.773 -1.308 0.977 238 HA HIS 31 HA HIS 31 3.564 -1.297 -1.931 239 1HB HIS 31 2HB HIS 31 2.850 -3.208 0.250 240 2HB HIS 31 1HB HIS 31 1.969 -3.306 -1.269 241 HD1 HIS 31 HD1 HIS 31 5.575 -3.336 -0.067 242 HD2 HIS 31 HD2 HIS 31 3.213 -4.823 -3.147 243 HE1 HIS 31 HE1 HIS 31 7.083 -4.836 -1.408 244 HE2 HIS 31 HE2 HIS 31 5.608 -5.798 -3.207 245 H LYS 32 H LYS 32 2.018 -0.140 -2.897 246 HA LYS 32 HA LYS 32 -0.620 0.026 -1.670 247 1HB LYS 32 2HB LYS 32 0.744 2.505 -2.707 248 2HB LYS 32 1HB LYS 32 -0.774 2.395 -1.826 249 1HG LYS 32 2HG LYS 32 0.492 1.600 0.153 250 2HG LYS 32 1HG LYS 32 1.987 1.882 -0.744 251 1HD LYS 32 2HD LYS 32 -0.061 4.044 -0.361 252 2HD LYS 32 1HD LYS 32 1.186 3.723 0.846 253 1HE LYS 32 2HE LYS 32 1.861 4.185 -2.044 254 2HE LYS 32 1HE LYS 32 1.656 5.525 -0.916 255 1HZ LYS 32 1HZ LYS 32 3.322 3.960 0.453 256 2HZ LYS 32 2HZ LYS 32 3.837 5.196 -0.580 257 3HZ LYS 32 3HZ LYS 32 3.808 3.594 -1.126 258 H CYS 33 H CYS 33 -1.310 2.162 -3.579 259 HA CYS 33 HA CYS 33 -1.537 0.502 -5.988 260 1HB CYS 33 2HB CYS 33 -3.345 2.467 -4.648 261 2HB CYS 33 1HB CYS 33 -3.490 2.208 -6.378 262 H ILE 34 H ILE 34 -0.787 1.245 -7.892 263 HA ILE 34 HA ILE 34 0.225 4.010 -7.968 264 HB ILE 34 HB ILE 34 1.640 2.813 -9.927 265 1HG1 ILE 34 2HG1 ILE 34 0.542 0.612 -9.140 266 2HG1 ILE 34 1HG1 ILE 34 2.282 0.618 -9.402 267 1HG2 ILE 34 1HG2 ILE 34 3.515 2.932 -8.467 268 2HG2 ILE 34 2HG2 ILE 34 2.493 2.744 -7.041 269 3HG2 ILE 34 3HG2 ILE 34 2.409 4.222 -7.998 270 1HD1 ILE 34 1HD1 ILE 34 0.845 0.777 -6.767 271 2HD1 ILE 34 2HD1 ILE 34 2.588 0.958 -6.966 272 3HD1 ILE 34 3HD1 ILE 34 1.806 -0.565 -7.386 273 H GLY 35 HN GLY 35 0.695 4.499 -10.497 274 1HA GLY 35 2HA GLY 35 -0.268 4.167 -12.728 275 2HA GLY 35 1HA GLY 35 -1.802 3.850 -11.933 Start of MODEL 11 1 HN PCA 1 HN PCA 1 -13.297 -8.879 -5.367 2 HA PCA 1 HA PCA 1 -12.948 -8.251 -2.884 3 1HB PCA 1 1HB PCA 1 -10.036 -7.837 -3.520 4 2HB PCA 1 2HB PCA 1 -10.788 -8.547 -2.061 5 1HG PCA 1 1HG PCA 1 -9.595 -10.055 -4.088 6 2HG PCA 1 2HG PCA 1 -10.872 -10.681 -2.999 7 H GLN 2 H GLN 2 -13.395 -6.167 -2.516 8 HA GLN 2 HA GLN 2 -13.877 -4.266 -4.322 9 1HB GLN 2 2HB GLN 2 -12.963 -2.636 -2.376 10 2HB GLN 2 1HB GLN 2 -14.505 -3.476 -2.296 11 1HG GLN 2 2HG GLN 2 -13.450 -5.275 -1.011 12 2HG GLN 2 1HG GLN 2 -11.916 -4.407 -1.075 13 1HE2 GLN 2 1HE2 GLN 2 -14.774 -2.538 -0.826 14 2HE2 GLN 2 2HE2 GLN 2 -14.631 -2.127 0.844 15 H CYS 3 H CYS 3 -12.820 -2.439 -5.211 16 HA CYS 3 HA CYS 3 -10.220 -2.943 -6.189 17 1HB CYS 3 2HB CYS 3 -10.472 -1.019 -7.447 18 2HB CYS 3 1HB CYS 3 -12.156 -1.415 -7.132 19 H VAL 4 H VAL 4 -9.126 -0.323 -6.063 20 HA VAL 4 HA VAL 4 -8.666 0.387 -3.319 21 HB VAL 4 HB VAL 4 -6.292 -0.621 -4.876 22 1HG1 VAL 4 1HG1 VAL 4 -6.395 -0.200 -1.922 23 2HG1 VAL 4 2HG1 VAL 4 -6.168 1.179 -2.997 24 3HG1 VAL 4 3HG1 VAL 4 -5.012 -0.153 -3.016 25 1HG2 VAL 4 1HG2 VAL 4 -7.196 -2.085 -2.479 26 2HG2 VAL 4 2HG2 VAL 4 -6.462 -2.685 -3.965 27 3HG2 VAL 4 3HG2 VAL 4 -8.177 -2.282 -3.929 28 H LYS 5 H LYS 5 -8.330 2.498 -3.254 29 HA LYS 5 HA LYS 5 -8.002 3.969 -5.693 30 1HB LYS 5 2HB LYS 5 -9.114 4.465 -3.163 31 2HB LYS 5 1HB LYS 5 -7.788 5.600 -3.345 32 1HG LYS 5 2HG LYS 5 -9.525 6.796 -4.234 33 2HG LYS 5 1HG LYS 5 -8.853 6.042 -5.681 34 1HD LYS 5 2HD LYS 5 -10.821 4.353 -4.379 35 2HD LYS 5 1HD LYS 5 -11.488 5.923 -4.827 36 1HE LYS 5 2HE LYS 5 -11.347 3.814 -6.501 37 2HE LYS 5 1HE LYS 5 -11.350 5.495 -7.035 38 1HZ LYS 5 1HZ LYS 5 -9.124 3.590 -6.904 39 2HZ LYS 5 2HZ LYS 5 -8.788 5.234 -6.694 40 3HZ LYS 5 3HZ LYS 5 -9.524 4.698 -8.120 41 H LYS 6 H LYS 6 -6.376 5.607 -6.031 42 HA LYS 6 HA LYS 6 -3.757 4.685 -5.634 43 1HB LYS 6 2HB LYS 6 -3.823 6.090 -7.435 44 2HB LYS 6 1HB LYS 6 -5.007 7.160 -6.694 45 1HG LYS 6 2HG LYS 6 -3.146 8.497 -6.750 46 2HG LYS 6 1HG LYS 6 -3.031 7.811 -5.128 47 1HD LYS 6 2HD LYS 6 -1.181 6.615 -5.626 48 2HD LYS 6 1HD LYS 6 -1.734 6.249 -7.261 49 1HE LYS 6 2HE LYS 6 -1.298 8.902 -7.478 50 2HE LYS 6 1HE LYS 6 -0.088 8.484 -6.267 51 1HZ LYS 6 1HZ LYS 6 0.797 6.818 -7.765 52 2HZ LYS 6 2HZ LYS 6 0.797 8.334 -8.514 53 3HZ LYS 6 3HZ LYS 6 -0.379 7.189 -8.924 54 H ASP 7 H ASP 7 -2.126 5.304 -4.246 55 HA ASP 7 HA ASP 7 -1.121 6.399 -2.469 56 1HB ASP 7 2HB ASP 7 -2.866 8.270 -2.976 57 2HB ASP 7 1HB ASP 7 -3.748 7.577 -1.619 58 H GLU 8 H GLU 8 -3.860 4.419 -2.474 59 HA GLU 8 HA GLU 8 -3.759 3.835 0.374 60 1HB GLU 8 2HB GLU 8 -5.436 2.522 -1.771 61 2HB GLU 8 1HB GLU 8 -5.654 2.380 -0.033 62 1HG GLU 8 2HG GLU 8 -6.186 4.762 0.094 63 2HG GLU 8 1HG GLU 8 -5.978 4.896 -1.651 64 H LEU 9 H LEU 9 -3.091 1.887 1.252 65 HA LEU 9 HA LEU 9 -0.928 0.616 0.022 66 1HB LEU 9 2HB LEU 9 -2.654 -0.166 2.359 67 2HB LEU 9 1HB LEU 9 -1.214 -1.048 1.892 68 HG LEU 9 HG LEU 9 -1.344 1.060 3.673 69 1HD1 LEU 9 1HD1 LEU 9 0.352 -0.581 3.788 70 2HD1 LEU 9 2HD1 LEU 9 1.163 0.961 3.518 71 3HD1 LEU 9 3HD1 LEU 9 0.954 -0.172 2.183 72 1HD2 LEU 9 1HD2 LEU 9 -0.082 2.871 2.691 73 2HD2 LEU 9 2HD2 LEU 9 -1.573 2.626 1.783 74 3HD2 LEU 9 3HD2 LEU 9 -0.041 2.037 1.137 75 H CYS 10 H CYS 10 -0.947 -1.958 0.105 76 HA CYS 10 HA CYS 10 -3.132 -3.464 -0.646 77 1HB CYS 10 2HB CYS 10 -2.838 -1.667 -2.613 78 2HB CYS 10 1HB CYS 10 -1.697 -2.879 -3.184 79 H ILE 11 H ILE 11 -2.330 -5.401 -2.167 80 HA ILE 11 HA ILE 11 0.479 -5.986 -1.644 81 HB ILE 11 HB ILE 11 -1.470 -8.138 -1.005 82 1HG1 ILE 11 2HG1 ILE 11 -2.050 -5.901 0.213 83 2HG1 ILE 11 1HG1 ILE 11 -1.968 -7.396 1.139 84 1HG2 ILE 11 1HG2 ILE 11 1.246 -7.976 -1.023 85 2HG2 ILE 11 2HG2 ILE 11 0.315 -9.153 -0.098 86 3HG2 ILE 11 3HG2 ILE 11 0.885 -7.676 0.677 87 1HD1 ILE 11 1HD1 ILE 11 -0.446 -6.504 2.464 88 2HD1 ILE 11 2HD1 ILE 11 -0.562 -4.993 1.559 89 3HD1 ILE 11 3HD1 ILE 11 0.618 -6.216 1.087 90 HA PRO 12 HA PRO 12 -0.101 -7.366 -5.871 91 1HB PRO 12 2HB PRO 12 2.653 -8.374 -5.468 92 2HB PRO 12 1HB PRO 12 2.029 -7.282 -6.707 93 1HG PRO 12 2HG PRO 12 3.566 -6.383 -4.710 94 2HG PRO 12 1HG PRO 12 2.225 -5.418 -5.353 95 1HD PRO 12 2HD PRO 12 2.370 -7.023 -2.833 96 2HD PRO 12 1HD PRO 12 1.602 -5.449 -3.126 97 H TYR 13 H TYR 13 -0.332 -9.008 -3.205 98 HA TYR 13 HA TYR 13 -0.693 -11.559 -4.548 99 1HB TYR 13 2HB TYR 13 0.688 -11.811 -1.946 100 2HB TYR 13 1HB TYR 13 0.851 -12.780 -3.406 101 HD1 TYR 13 HD1 TYR 13 2.598 -10.723 -1.287 102 HD2 TYR 13 HD2 TYR 13 1.903 -11.272 -5.448 103 HE1 TYR 13 HE1 TYR 13 4.725 -9.594 -1.785 104 HE2 TYR 13 HE2 TYR 13 4.028 -10.145 -5.957 105 HH TYR 13 HH TYR 13 5.521 -8.365 -4.679 106 H TYR 14 H TYR 14 -2.336 -9.450 -3.285 107 HA TYR 14 HA TYR 14 -3.890 -11.210 -1.552 108 1HB TYR 14 2HB TYR 14 -2.380 -8.904 -0.635 109 2HB TYR 14 1HB TYR 14 -4.098 -8.736 -0.287 110 HD1 TYR 14 HD1 TYR 14 -1.024 -10.456 0.549 111 HD2 TYR 14 HD2 TYR 14 -5.239 -10.436 1.125 112 HE1 TYR 14 HE1 TYR 14 -0.758 -11.923 2.503 113 HE2 TYR 14 HE2 TYR 14 -4.985 -11.903 3.082 114 HH TYR 14 HH TYR 14 -1.821 -13.190 4.015 115 H LEU 15 H LEU 15 -4.205 -7.726 -1.905 116 HA LEU 15 HA LEU 15 -6.809 -8.148 -3.182 117 1HB LEU 15 2HB LEU 15 -6.399 -5.418 -2.531 118 2HB LEU 15 1HB LEU 15 -7.525 -6.554 -1.812 119 HG LEU 15 HG LEU 15 -5.382 -7.281 -0.446 120 1HD1 LEU 15 1HD1 LEU 15 -4.139 -5.437 -1.865 121 2HD1 LEU 15 2HD1 LEU 15 -3.730 -5.735 -0.177 122 3HD1 LEU 15 3HD1 LEU 15 -4.774 -4.380 -0.604 123 1HD2 LEU 15 1HD2 LEU 15 -7.123 -6.634 0.869 124 2HD2 LEU 15 2HD2 LEU 15 -7.376 -5.130 -0.015 125 3HD2 LEU 15 3HD2 LEU 15 -6.046 -5.264 1.135 126 H ASP 16 H ASP 16 -7.328 -5.900 -4.477 127 HA ASP 16 HA ASP 16 -5.101 -5.353 -6.301 128 1HB ASP 16 2HB ASP 16 -7.835 -5.878 -7.428 129 2HB ASP 16 1HB ASP 16 -6.276 -5.913 -8.244 130 H CYS 17 H CYS 17 -5.430 -3.424 -7.613 131 HA CYS 17 HA CYS 17 -6.896 -1.408 -6.133 132 1HB CYS 17 2HB CYS 17 -5.062 -1.119 -8.520 133 2HB CYS 17 1HB CYS 17 -5.676 0.183 -7.519 134 H CYS 18 H CYS 18 -8.116 0.263 -7.378 135 HA CYS 18 HA CYS 18 -10.203 -0.936 -8.829 136 1HB CYS 18 2HB CYS 18 -9.729 1.978 -9.153 137 2HB CYS 18 1HB CYS 18 -11.215 1.106 -8.793 138 H GLU 19 H GLU 19 -8.437 1.807 -10.160 139 HA GLU 19 HA GLU 19 -7.007 0.832 -12.203 140 1HB GLU 19 2HB GLU 19 -9.527 -0.185 -12.594 141 2HB GLU 19 1HB GLU 19 -9.532 1.227 -13.642 142 1HG GLU 19 2HG GLU 19 -7.090 -0.287 -13.926 143 2HG GLU 19 1HG GLU 19 -8.512 -1.286 -14.221 144 HA PRO 20 HA PRO 20 -6.447 1.278 -14.246 145 1HB PRO 20 2HB PRO 20 -4.383 2.674 -15.243 146 2HB PRO 20 1HB PRO 20 -5.995 2.756 -15.965 147 1HG PRO 20 2HG PRO 20 -4.637 4.689 -14.132 148 2HG PRO 20 1HG PRO 20 -5.641 5.012 -15.556 149 1HD PRO 20 2HD PRO 20 -6.543 5.153 -12.959 150 2HD PRO 20 1HD PRO 20 -7.586 4.857 -14.363 151 H LEU 21 H LEU 21 -5.785 2.926 -11.485 152 HA LEU 21 HA LEU 21 -3.143 2.693 -10.866 153 1HB LEU 21 2HB LEU 21 -5.382 1.895 -9.010 154 2HB LEU 21 1HB LEU 21 -3.785 2.450 -8.547 155 HG LEU 21 HG LEU 21 -5.612 4.215 -10.143 156 1HD1 LEU 21 1HD1 LEU 21 -5.771 3.515 -7.262 157 2HD1 LEU 21 2HD1 LEU 21 -7.053 3.934 -8.399 158 3HD1 LEU 21 3HD1 LEU 21 -6.020 5.196 -7.729 159 1HD2 LEU 21 1HD2 LEU 21 -3.438 4.837 -8.152 160 2HD2 LEU 21 2HD2 LEU 21 -4.288 5.980 -9.192 161 3HD2 LEU 21 3HD2 LEU 21 -3.209 4.778 -9.900 162 H GLU 22 H GLU 22 -2.213 1.028 -9.247 163 HA GLU 22 HA GLU 22 -2.933 -1.701 -10.056 164 1HB GLU 22 2HB GLU 22 -0.878 -0.622 -11.270 165 2HB GLU 22 1HB GLU 22 -0.049 -0.951 -9.754 166 1HG GLU 22 2HG GLU 22 0.177 -3.098 -10.245 167 2HG GLU 22 1HG GLU 22 -1.530 -3.256 -10.655 168 H CYS 23 H CYS 23 -2.493 -3.312 -8.549 169 HA CYS 23 HA CYS 23 -2.166 -2.340 -5.810 170 1HB CYS 23 2HB CYS 23 -4.128 -3.711 -6.215 171 2HB CYS 23 1HB CYS 23 -3.135 -4.987 -6.910 172 H LYS 24 H LYS 24 0.168 -2.008 -6.249 173 HA LYS 24 HA LYS 24 1.644 -4.390 -5.480 174 1HB LYS 24 2HB LYS 24 3.367 -3.966 -7.265 175 2HB LYS 24 1HB LYS 24 1.831 -4.600 -7.843 176 1HG LYS 24 2HG LYS 24 2.181 -2.963 -9.380 177 2HG LYS 24 1HG LYS 24 1.286 -2.044 -8.168 178 1HD LYS 24 2HD LYS 24 3.018 -0.685 -7.831 179 2HD LYS 24 1HD LYS 24 4.100 -2.052 -7.557 180 1HE LYS 24 2HE LYS 24 5.013 -1.834 -9.577 181 2HE LYS 24 1HE LYS 24 3.431 -1.785 -10.355 182 1HZ LYS 24 1HZ LYS 24 4.168 0.628 -8.938 183 2HZ LYS 24 2HZ LYS 24 3.466 0.440 -10.464 184 3HZ LYS 24 3HZ LYS 24 5.139 0.274 -10.279 185 H LYS 25 H LYS 25 4.172 -3.591 -5.600 186 HA LYS 25 HA LYS 25 4.449 -1.813 -3.448 187 1HB LYS 25 2HB LYS 25 6.140 -3.465 -3.885 188 2HB LYS 25 1HB LYS 25 6.451 -2.795 -5.481 189 1HG LYS 25 2HG LYS 25 7.393 -0.805 -4.522 190 2HG LYS 25 1HG LYS 25 6.949 -1.333 -2.898 191 1HD LYS 25 2HD LYS 25 8.900 -2.714 -4.741 192 2HD LYS 25 1HD LYS 25 9.319 -1.728 -3.337 193 1HE LYS 25 2HE LYS 25 8.999 -3.436 -1.946 194 2HE LYS 25 1HE LYS 25 7.417 -3.786 -2.641 195 1HZ LYS 25 1HZ LYS 25 10.048 -4.875 -3.388 196 2HZ LYS 25 2HZ LYS 25 8.800 -4.837 -4.528 197 3HZ LYS 25 3HZ LYS 25 8.598 -5.694 -3.085 198 H VAL 26 H VAL 26 4.506 0.313 -3.320 199 HA VAL 26 HA VAL 26 4.390 1.901 -5.753 200 HB VAL 26 HB VAL 26 4.388 3.220 -3.100 201 1HG1 VAL 26 1HG1 VAL 26 2.160 3.987 -4.516 202 2HG1 VAL 26 2HG1 VAL 26 3.338 3.639 -5.781 203 3HG1 VAL 26 3HG1 VAL 26 3.721 4.809 -4.517 204 1HG2 VAL 26 1HG2 VAL 26 3.057 0.942 -3.057 205 2HG2 VAL 26 2HG2 VAL 26 1.842 1.905 -3.896 206 3HG2 VAL 26 3HG2 VAL 26 2.411 2.397 -2.301 207 H ASN 27 H ASN 27 6.598 1.020 -3.279 208 HA ASN 27 HA ASN 27 8.618 2.798 -4.440 209 1HB ASN 27 2HB ASN 27 9.058 2.442 -1.620 210 2HB ASN 27 1HB ASN 27 8.969 3.928 -2.552 211 1HD2 ASN 27 1HD2 ASN 27 6.895 1.412 -1.174 212 2HD2 ASN 27 2HD2 ASN 27 5.609 2.476 -0.729 213 H TRP 28 H TRP 28 9.585 1.274 -1.607 214 HA TRP 28 HA TRP 28 10.625 -1.054 -3.056 215 1HB TRP 28 2HB TRP 28 12.798 -0.649 -2.495 216 2HB TRP 28 1HB TRP 28 12.235 1.021 -2.489 217 HD1 TRP 28 HD1 TRP 28 10.809 1.101 0.325 218 HE1 TRP 28 HE1 TRP 28 12.211 0.976 2.481 219 HE3 TRP 28 HE3 TRP 28 15.039 -1.045 -1.581 220 HZ2 TRP 28 HZ2 TRP 28 14.774 0.086 3.268 221 HZ3 TRP 28 HZ3 TRP 28 16.920 -1.499 -0.062 222 HH2 TRP 28 HH2 TRP 28 16.789 -0.944 2.313 223 H TRP 29 H TRP 29 9.142 0.259 -0.301 224 HA TRP 29 HA TRP 29 9.162 -2.380 0.984 225 1HB TRP 29 2HB TRP 29 9.901 -1.630 3.005 226 2HB TRP 29 1HB TRP 29 10.705 -0.431 1.997 227 HD1 TRP 29 HD1 TRP 29 7.449 -0.788 4.069 228 HE1 TRP 29 HE1 TRP 29 6.819 1.541 4.965 229 HE3 TRP 29 HE3 TRP 29 11.098 1.976 1.790 230 HZ2 TRP 29 HZ2 TRP 29 7.744 4.197 4.735 231 HZ3 TRP 29 HZ3 TRP 29 11.154 4.405 2.179 232 HH2 TRP 29 HH2 TRP 29 9.510 5.492 3.621 233 H ASP 30 H ASP 30 7.571 0.655 0.350 234 HA ASP 30 HA ASP 30 5.183 -0.165 1.808 235 1HB ASP 30 2HB ASP 30 6.348 2.312 1.282 236 2HB ASP 30 1HB ASP 30 4.919 2.271 0.256 237 H HIS 31 H HIS 31 3.685 -1.347 0.832 238 HA HIS 31 HA HIS 31 3.522 -1.313 -2.094 239 1HB HIS 31 2HB HIS 31 2.866 -3.301 0.021 240 2HB HIS 31 1HB HIS 31 1.893 -3.322 -1.442 241 HD1 HIS 31 HD1 HIS 31 5.439 -3.800 -0.267 242 HD2 HIS 31 HD2 HIS 31 3.114 -4.421 -3.648 243 HE1 HIS 31 HE1 HIS 31 6.862 -5.181 -1.814 244 HE2 HIS 31 HE2 HIS 31 5.396 -5.625 -3.815 245 H LYS 32 H LYS 32 1.957 -0.162 -3.029 246 HA LYS 32 HA LYS 32 -0.653 0.025 -1.744 247 1HB LYS 32 2HB LYS 32 0.769 2.480 -2.778 248 2HB LYS 32 1HB LYS 32 -0.783 2.413 -1.952 249 1HG LYS 32 2HG LYS 32 0.529 1.441 0.023 250 2HG LYS 32 1HG LYS 32 1.962 2.034 -0.820 251 1HD LYS 32 2HD LYS 32 -0.417 3.734 -0.077 252 2HD LYS 32 1HD LYS 32 1.072 3.626 0.866 253 1HE LYS 32 2HE LYS 32 1.330 5.555 -0.441 254 2HE LYS 32 1HE LYS 32 2.274 4.319 -1.272 255 1HZ LYS 32 1HZ LYS 32 0.424 5.887 -2.439 256 2HZ LYS 32 2HZ LYS 32 -0.471 4.483 -2.136 257 3HZ LYS 32 3HZ LYS 32 0.950 4.400 -3.051 258 H CYS 33 H CYS 33 -1.356 2.176 -3.648 259 HA CYS 33 HA CYS 33 -1.644 0.529 -6.058 260 1HB CYS 33 2HB CYS 33 -3.400 2.556 -4.715 261 2HB CYS 33 1HB CYS 33 -3.624 2.149 -6.408 262 H ILE 34 H ILE 34 -0.657 1.235 -7.851 263 HA ILE 34 HA ILE 34 0.316 4.002 -7.900 264 HB ILE 34 HB ILE 34 1.623 2.977 -9.947 265 1HG1 ILE 34 2HG1 ILE 34 0.357 0.792 -9.690 266 2HG1 ILE 34 1HG1 ILE 34 2.112 0.653 -9.764 267 1HG2 ILE 34 1HG2 ILE 34 3.017 1.944 -7.712 268 2HG2 ILE 34 2HG2 ILE 34 2.152 3.388 -7.185 269 3HG2 ILE 34 3HG2 ILE 34 3.269 3.477 -8.547 270 1HD1 ILE 34 1HD1 ILE 34 2.243 0.317 -7.402 271 2HD1 ILE 34 2HD1 ILE 34 1.039 -0.791 -8.059 272 3HD1 ILE 34 3HD1 ILE 34 0.526 0.667 -7.209 273 H GLY 35 HN GLY 35 0.714 4.494 -10.501 274 1HA GLY 35 2HA GLY 35 -1.852 4.026 -11.859 275 2HA GLY 35 1HA GLY 35 -1.295 5.675 -11.624 Start of MODEL 12 1 HN PCA 1 HN PCA 1 -13.992 -9.222 -4.297 2 HA PCA 1 HA PCA 1 -13.315 -8.118 -2.005 3 1HB PCA 1 1HB PCA 1 -10.604 -7.776 -3.275 4 2HB PCA 1 2HB PCA 1 -11.024 -8.130 -1.573 5 1HG PCA 1 1HG PCA 1 -10.174 -10.044 -3.484 6 2HG PCA 1 2HG PCA 1 -11.012 -10.420 -1.948 7 H GLN 2 H GLN 2 -12.852 -5.798 -1.879 8 HA GLN 2 HA GLN 2 -13.946 -4.419 -4.152 9 1HB GLN 2 2HB GLN 2 -12.939 -2.655 -2.103 10 2HB GLN 2 1HB GLN 2 -14.598 -2.933 -2.617 11 1HG GLN 2 2HG GLN 2 -14.766 -4.838 -1.125 12 2HG GLN 2 1HG GLN 2 -13.084 -4.627 -0.642 13 1HE2 GLN 2 1HE2 GLN 2 -14.009 -4.520 1.515 14 2HE2 GLN 2 2HE2 GLN 2 -14.612 -3.010 2.098 15 H CYS 3 H CYS 3 -12.945 -2.421 -5.008 16 HA CYS 3 HA CYS 3 -10.364 -2.931 -6.014 17 1HB CYS 3 2HB CYS 3 -10.630 -1.023 -7.278 18 2HB CYS 3 1HB CYS 3 -12.310 -1.369 -6.901 19 H VAL 4 H VAL 4 -9.120 -0.453 -5.934 20 HA VAL 4 HA VAL 4 -8.621 0.281 -3.181 21 HB VAL 4 HB VAL 4 -6.317 -0.754 -4.822 22 1HG1 VAL 4 1HG1 VAL 4 -6.449 0.912 -2.569 23 2HG1 VAL 4 2HG1 VAL 4 -5.017 0.160 -3.272 24 3HG1 VAL 4 3HG1 VAL 4 -5.904 -0.661 -1.987 25 1HG2 VAL 4 1HG2 VAL 4 -6.549 -2.823 -3.979 26 2HG2 VAL 4 2HG2 VAL 4 -8.228 -2.349 -3.719 27 3HG2 VAL 4 3HG2 VAL 4 -7.062 -2.226 -2.401 28 H LYS 5 H LYS 5 -8.268 2.396 -3.124 29 HA LYS 5 HA LYS 5 -8.015 3.872 -5.563 30 1HB LYS 5 2HB LYS 5 -8.992 4.381 -2.983 31 2HB LYS 5 1HB LYS 5 -7.649 5.486 -3.219 32 1HG LYS 5 2HG LYS 5 -9.663 6.572 -3.907 33 2HG LYS 5 1HG LYS 5 -8.691 6.230 -5.340 34 1HD LYS 5 2HD LYS 5 -10.326 5.006 -6.225 35 2HD LYS 5 1HD LYS 5 -10.440 4.019 -4.766 36 1HE LYS 5 2HE LYS 5 -12.331 5.825 -5.728 37 2HE LYS 5 1HE LYS 5 -12.323 5.031 -4.154 38 1HZ LYS 5 1HZ LYS 5 -11.358 6.869 -3.145 39 2HZ LYS 5 2HZ LYS 5 -12.461 7.565 -4.222 40 3HZ LYS 5 3HZ LYS 5 -10.814 7.528 -4.606 41 H LYS 6 H LYS 6 -6.385 5.477 -5.989 42 HA LYS 6 HA LYS 6 -3.761 4.515 -5.709 43 1HB LYS 6 2HB LYS 6 -4.103 5.892 -7.565 44 2HB LYS 6 1HB LYS 6 -4.937 7.120 -6.623 45 1HG LYS 6 2HG LYS 6 -2.797 7.968 -7.261 46 2HG LYS 6 1HG LYS 6 -2.781 7.664 -5.522 47 1HD LYS 6 2HD LYS 6 -1.580 5.592 -5.857 48 2HD LYS 6 1HD LYS 6 -1.688 5.778 -7.609 49 1HE LYS 6 2HE LYS 6 0.460 6.512 -6.197 50 2HE LYS 6 1HE LYS 6 -0.034 7.322 -7.683 51 1HZ LYS 6 1HZ LYS 6 0.480 8.805 -5.746 52 2HZ LYS 6 2HZ LYS 6 -0.917 8.214 -4.998 53 3HZ LYS 6 3HZ LYS 6 -1.033 9.056 -6.461 54 H ASP 7 H ASP 7 -2.043 5.181 -4.438 55 HA ASP 7 HA ASP 7 -0.937 6.237 -2.713 56 1HB ASP 7 2HB ASP 7 -2.276 8.275 -3.146 57 2HB ASP 7 1HB ASP 7 -3.572 7.620 -2.150 58 H GLU 8 H GLU 8 -3.805 4.444 -2.535 59 HA GLU 8 HA GLU 8 -3.593 3.931 0.322 60 1HB GLU 8 2HB GLU 8 -5.491 2.861 -1.775 61 2HB GLU 8 1HB GLU 8 -5.565 2.452 -0.066 62 1HG GLU 8 2HG GLU 8 -5.918 4.837 0.455 63 2HG GLU 8 1HG GLU 8 -5.939 5.182 -1.274 64 H LEU 9 H LEU 9 -2.776 2.096 1.214 65 HA LEU 9 HA LEU 9 -0.829 0.640 -0.025 66 1HB LEU 9 2HB LEU 9 -2.612 0.006 2.301 67 2HB LEU 9 1HB LEU 9 -1.336 -1.084 1.798 68 HG LEU 9 HG LEU 9 -1.027 0.850 3.651 69 1HD1 LEU 9 1HD1 LEU 9 1.392 0.449 2.056 70 2HD1 LEU 9 2HD1 LEU 9 0.534 -1.037 2.463 71 3HD1 LEU 9 3HD1 LEU 9 1.065 0.053 3.742 72 1HD2 LEU 9 1HD2 LEU 9 -0.889 2.864 2.720 73 2HD2 LEU 9 2HD2 LEU 9 -0.906 2.183 1.094 74 3HD2 LEU 9 3HD2 LEU 9 0.616 2.331 1.971 75 H CYS 10 H CYS 10 -1.060 -1.967 0.077 76 HA CYS 10 HA CYS 10 -3.338 -3.252 -0.823 77 1HB CYS 10 2HB CYS 10 -2.659 -1.485 -2.756 78 2HB CYS 10 1HB CYS 10 -1.696 -2.868 -3.261 79 H ILE 11 H ILE 11 -2.409 -5.132 -2.566 80 HA ILE 11 HA ILE 11 0.192 -6.036 -1.647 81 HB ILE 11 HB ILE 11 -2.029 -8.001 -1.397 82 1HG1 ILE 11 2HG1 ILE 11 -2.599 -5.847 -0.119 83 2HG1 ILE 11 1HG1 ILE 11 -2.620 -7.356 0.788 84 1HG2 ILE 11 1HG2 ILE 11 -0.543 -9.188 -0.097 85 2HG2 ILE 11 2HG2 ILE 11 0.319 -7.741 0.424 86 3HG2 ILE 11 3HG2 ILE 11 0.553 -8.366 -1.208 87 1HD1 ILE 11 1HD1 ILE 11 -1.067 -6.620 2.185 88 2HD1 ILE 11 2HD1 ILE 11 -1.273 -5.031 1.449 89 3HD1 ILE 11 3HD1 ILE 11 -0.015 -6.119 0.862 90 HA PRO 12 HA PRO 12 -0.125 -7.059 -6.037 91 1HB PRO 12 2HB PRO 12 2.503 -7.853 -6.215 92 2HB PRO 12 1HB PRO 12 1.956 -6.181 -6.379 93 1HG PRO 12 2HG PRO 12 3.120 -7.570 -4.001 94 2HG PRO 12 1HG PRO 12 3.423 -5.928 -4.601 95 1HD PRO 12 2HD PRO 12 1.809 -6.394 -2.502 96 2HD PRO 12 1HD PRO 12 1.479 -5.092 -3.663 97 H TYR 13 H TYR 13 -0.619 -8.888 -3.630 98 HA TYR 13 HA TYR 13 -0.584 -11.343 -5.130 99 1HB TYR 13 2HB TYR 13 1.189 -10.954 -2.731 100 2HB TYR 13 1HB TYR 13 0.576 -12.549 -3.157 101 HD1 TYR 13 HD1 TYR 13 0.781 -12.792 -5.965 102 HD2 TYR 13 HD2 TYR 13 3.402 -10.728 -3.325 103 HE1 TYR 13 HE1 TYR 13 2.614 -13.063 -7.582 104 HE2 TYR 13 HE2 TYR 13 5.242 -10.993 -4.935 105 HH TYR 13 HH TYR 13 4.893 -11.653 -8.034 106 H TYR 14 H TYR 14 -2.106 -9.284 -3.227 107 HA TYR 14 HA TYR 14 -3.792 -11.370 -2.021 108 1HB TYR 14 2HB TYR 14 -2.573 -8.977 -0.757 109 2HB TYR 14 1HB TYR 14 -4.239 -9.340 -0.316 110 HD1 TYR 14 HD1 TYR 14 -0.760 -10.439 -0.099 111 HD2 TYR 14 HD2 TYR 14 -4.786 -11.385 0.904 112 HE1 TYR 14 HE1 TYR 14 0.040 -12.126 1.502 113 HE2 TYR 14 HE2 TYR 14 -3.996 -13.071 2.509 114 HH TYR 14 HH TYR 14 -1.608 -14.521 2.628 115 H LEU 15 H LEU 15 -4.126 -7.840 -2.055 116 HA LEU 15 HA LEU 15 -6.690 -8.185 -3.441 117 1HB LEU 15 2HB LEU 15 -6.843 -5.648 -2.692 118 2HB LEU 15 1HB LEU 15 -7.265 -6.962 -1.612 119 HG LEU 15 HG LEU 15 -5.891 -5.165 -0.566 120 1HD1 LEU 15 1HD1 LEU 15 -5.324 -6.753 0.866 121 2HD1 LEU 15 2HD1 LEU 15 -4.012 -7.265 -0.194 122 3HD1 LEU 15 3HD1 LEU 15 -5.618 -7.971 -0.375 123 1HD2 LEU 15 1HD2 LEU 15 -3.321 -5.811 -1.325 124 2HD2 LEU 15 2HD2 LEU 15 -4.211 -4.360 -1.786 125 3HD2 LEU 15 3HD2 LEU 15 -4.203 -5.766 -2.851 126 H ASP 16 H ASP 16 -7.238 -6.001 -4.701 127 HA ASP 16 HA ASP 16 -4.911 -5.219 -6.310 128 1HB ASP 16 2HB ASP 16 -6.807 -5.313 -8.237 129 2HB ASP 16 1HB ASP 16 -5.697 -6.639 -7.901 130 H CYS 17 H CYS 17 -5.344 -3.277 -7.656 131 HA CYS 17 HA CYS 17 -6.883 -1.366 -6.114 132 1HB CYS 17 2HB CYS 17 -5.079 -0.942 -8.502 133 2HB CYS 17 1HB CYS 17 -5.754 0.311 -7.479 134 H CYS 18 H CYS 18 -8.287 0.189 -7.187 135 HA CYS 18 HA CYS 18 -10.335 -0.981 -8.624 136 1HB CYS 18 2HB CYS 18 -9.856 1.922 -9.037 137 2HB CYS 18 1HB CYS 18 -11.339 1.071 -8.622 138 H GLU 19 H GLU 19 -8.378 1.616 -10.027 139 HA GLU 19 HA GLU 19 -7.135 0.527 -12.117 140 1HB GLU 19 2HB GLU 19 -9.276 -0.647 -12.643 141 2HB GLU 19 1HB GLU 19 -10.004 0.916 -12.980 142 1HG GLU 19 2HG GLU 19 -9.234 0.877 -15.050 143 2HG GLU 19 1HG GLU 19 -7.582 0.667 -14.470 144 HA PRO 20 HA PRO 20 -6.502 0.875 -14.023 145 1HB PRO 20 2HB PRO 20 -4.513 2.105 -15.307 146 2HB PRO 20 1HB PRO 20 -6.182 2.240 -15.875 147 1HG PRO 20 2HG PRO 20 -4.534 4.205 -14.347 148 2HG PRO 20 1HG PRO 20 -5.707 4.491 -15.643 149 1HD PRO 20 2HD PRO 20 -6.204 4.763 -12.910 150 2HD PRO 20 1HD PRO 20 -7.439 4.618 -14.175 151 H LEU 21 H LEU 21 -5.570 2.755 -11.480 152 HA LEU 21 HA LEU 21 -2.948 2.609 -10.978 153 1HB LEU 21 2HB LEU 21 -4.924 1.583 -8.953 154 2HB LEU 21 1HB LEU 21 -3.407 2.406 -8.648 155 HG LEU 21 HG LEU 21 -5.670 3.774 -10.078 156 1HD1 LEU 21 1HD1 LEU 21 -6.676 3.118 -8.043 157 2HD1 LEU 21 2HD1 LEU 21 -6.171 4.793 -7.825 158 3HD1 LEU 21 3HD1 LEU 21 -5.220 3.486 -7.119 159 1HD2 LEU 21 1HD2 LEU 21 -4.500 5.761 -8.996 160 2HD2 LEU 21 2HD2 LEU 21 -3.661 4.961 -10.325 161 3HD2 LEU 21 3HD2 LEU 21 -3.172 4.650 -8.659 162 H GLU 22 H GLU 22 -1.669 1.058 -9.621 163 HA GLU 22 HA GLU 22 -2.217 -1.721 -10.432 164 1HB GLU 22 2HB GLU 22 -0.320 -0.695 -11.669 165 2HB GLU 22 1HB GLU 22 0.498 -0.426 -10.136 166 1HG GLU 22 2HG GLU 22 0.554 -2.834 -9.741 167 2HG GLU 22 1HG GLU 22 -0.268 -3.104 -11.277 168 H CYS 23 H CYS 23 -2.882 -2.742 -8.657 169 HA CYS 23 HA CYS 23 -2.238 -1.999 -6.015 170 1HB CYS 23 2HB CYS 23 -4.252 -3.233 -6.428 171 2HB CYS 23 1HB CYS 23 -3.359 -4.555 -7.169 172 H LYS 24 H LYS 24 0.143 -1.823 -6.375 173 HA LYS 24 HA LYS 24 1.414 -4.250 -5.417 174 1HB LYS 24 2HB LYS 24 3.285 -3.902 -7.152 175 2HB LYS 24 1HB LYS 24 1.806 -4.697 -7.672 176 1HG LYS 24 2HG LYS 24 1.979 -3.251 -9.385 177 2HG LYS 24 1HG LYS 24 1.169 -2.163 -8.258 178 1HD LYS 24 2HD LYS 24 3.376 -1.453 -9.532 179 2HD LYS 24 1HD LYS 24 3.058 -0.933 -7.876 180 1HE LYS 24 2HE LYS 24 5.329 -1.715 -8.035 181 2HE LYS 24 1HE LYS 24 4.395 -2.852 -7.063 182 1HZ LYS 24 1HZ LYS 24 4.286 -4.361 -8.870 183 2HZ LYS 24 2HZ LYS 24 5.904 -3.886 -8.736 184 3HZ LYS 24 3HZ LYS 24 4.930 -3.233 -9.955 185 H LYS 25 H LYS 25 4.022 -3.565 -5.548 186 HA LYS 25 HA LYS 25 4.372 -1.823 -3.405 187 1HB LYS 25 2HB LYS 25 6.018 -3.519 -4.084 188 2HB LYS 25 1HB LYS 25 6.377 -2.589 -5.532 189 1HG LYS 25 2HG LYS 25 6.942 -0.689 -3.855 190 2HG LYS 25 1HG LYS 25 7.071 -2.007 -2.690 191 1HD LYS 25 2HD LYS 25 9.237 -1.429 -3.736 192 2HD LYS 25 1HD LYS 25 8.748 -3.097 -4.044 193 1HE LYS 25 2HE LYS 25 7.646 -1.714 -6.156 194 2HE LYS 25 1HE LYS 25 9.190 -0.900 -5.906 195 1HZ LYS 25 1HZ LYS 25 9.658 -3.638 -5.743 196 2HZ LYS 25 2HZ LYS 25 10.165 -2.571 -6.953 197 3HZ LYS 25 3HZ LYS 25 8.696 -3.392 -7.113 198 H VAL 26 H VAL 26 4.441 0.306 -3.212 199 HA VAL 26 HA VAL 26 4.240 1.962 -5.595 200 HB VAL 26 HB VAL 26 4.337 3.197 -2.900 201 1HG1 VAL 26 1HG1 VAL 26 3.206 3.713 -5.532 202 2HG1 VAL 26 2HG1 VAL 26 3.650 4.838 -4.248 203 3HG1 VAL 26 3HG1 VAL 26 2.079 4.038 -4.215 204 1HG2 VAL 26 1HG2 VAL 26 2.227 1.249 -3.756 205 2HG2 VAL 26 2HG2 VAL 26 1.843 2.588 -2.675 206 3HG2 VAL 26 3HG2 VAL 26 3.047 1.391 -2.200 207 H ASN 27 H ASN 27 6.524 0.993 -3.237 208 HA ASN 27 HA ASN 27 8.546 2.729 -4.438 209 1HB ASN 27 2HB ASN 27 8.955 2.391 -1.590 210 2HB ASN 27 1HB ASN 27 9.029 3.852 -2.562 211 1HD2 ASN 27 1HD2 ASN 27 7.431 2.330 -0.114 212 2HD2 ASN 27 2HD2 ASN 27 5.955 3.227 -0.138 213 H TRP 28 H TRP 28 9.356 1.158 -1.540 214 HA TRP 28 HA TRP 28 10.290 -1.255 -2.888 215 1HB TRP 28 2HB TRP 28 12.510 -0.905 -2.564 216 2HB TRP 28 1HB TRP 28 12.035 0.790 -2.573 217 HD1 TRP 28 HD1 TRP 28 11.012 1.300 0.265 218 HE1 TRP 28 HE1 TRP 28 12.537 1.079 2.325 219 HE3 TRP 28 HE3 TRP 28 14.606 -1.752 -1.712 220 HZ2 TRP 28 HZ2 TRP 28 14.946 -0.220 3.021 221 HZ3 TRP 28 HZ3 TRP 28 16.488 -2.437 -0.281 222 HH2 TRP 28 HH2 TRP 28 16.653 -1.686 2.036 223 H TRP 29 H TRP 29 9.356 0.466 -0.047 224 HA TRP 29 HA TRP 29 9.373 -2.054 1.482 225 1HB TRP 29 2HB TRP 29 9.970 -0.942 3.415 226 2HB TRP 29 1HB TRP 29 10.839 0.011 2.216 227 HD1 TRP 29 HD1 TRP 29 7.783 0.177 4.527 228 HE1 TRP 29 HE1 TRP 29 7.083 2.641 4.782 229 HE3 TRP 29 HE3 TRP 29 10.927 2.277 1.084 230 HZ2 TRP 29 HZ2 TRP 29 7.773 5.142 3.672 231 HZ3 TRP 29 HZ3 TRP 29 10.844 4.712 0.741 232 HH2 TRP 29 HH2 TRP 29 9.298 6.113 2.009 233 H ASP 30 H ASP 30 7.550 0.659 0.359 234 HA ASP 30 HA ASP 30 5.205 -0.229 1.895 235 1HB ASP 30 2HB ASP 30 6.238 2.315 1.554 236 2HB ASP 30 1HB ASP 30 4.903 2.265 0.407 237 H HIS 31 H HIS 31 3.579 -1.209 0.874 238 HA HIS 31 HA HIS 31 3.561 -1.158 -2.064 239 1HB HIS 31 2HB HIS 31 2.993 -3.268 -0.051 240 2HB HIS 31 1HB HIS 31 2.016 -3.273 -1.513 241 HD1 HIS 31 HD1 HIS 31 5.729 -3.079 -0.673 242 HD2 HIS 31 HD2 HIS 31 3.148 -4.747 -3.471 243 HE1 HIS 31 HE1 HIS 31 7.189 -4.430 -2.212 244 HE2 HIS 31 HE2 HIS 31 5.608 -5.412 -3.912 245 H LYS 32 H LYS 32 1.977 -0.045 -2.981 246 HA LYS 32 HA LYS 32 -0.683 -0.050 -1.795 247 1HB LYS 32 2HB LYS 32 0.379 2.579 -2.728 248 2HB LYS 32 1HB LYS 32 -0.905 2.240 -1.578 249 1HG LYS 32 2HG LYS 32 0.787 1.504 0.054 250 2HG LYS 32 1HG LYS 32 2.052 1.936 -1.099 251 1HD LYS 32 2HD LYS 32 0.552 4.218 -1.018 252 2HD LYS 32 1HD LYS 32 0.425 3.639 0.644 253 1HE LYS 32 2HE LYS 32 2.618 3.997 1.077 254 2HE LYS 32 1HE LYS 32 3.120 3.566 -0.558 255 1HZ LYS 32 1HZ LYS 32 1.590 5.998 -0.424 256 2HZ LYS 32 2HZ LYS 32 3.058 5.686 -1.206 257 3HZ LYS 32 3HZ LYS 32 3.043 6.075 0.440 258 H CYS 33 H CYS 33 -1.409 2.176 -3.585 259 HA CYS 33 HA CYS 33 -1.624 0.625 -6.057 260 1HB CYS 33 2HB CYS 33 -3.294 2.763 -4.773 261 2HB CYS 33 1HB CYS 33 -3.497 2.338 -6.465 262 H ILE 34 H ILE 34 -0.557 1.291 -7.821 263 HA ILE 34 HA ILE 34 0.444 4.062 -7.861 264 HB ILE 34 HB ILE 34 1.996 2.826 -9.699 265 1HG1 ILE 34 2HG1 ILE 34 0.893 0.634 -9.034 266 2HG1 ILE 34 1HG1 ILE 34 2.653 0.657 -8.977 267 1HG2 ILE 34 1HG2 ILE 34 2.921 4.240 -8.057 268 2HG2 ILE 34 2HG2 ILE 34 3.691 2.671 -7.817 269 3HG2 ILE 34 3HG2 ILE 34 2.391 3.189 -6.744 270 1HD1 ILE 34 1HD1 ILE 34 1.407 -0.447 -7.048 271 2HD1 ILE 34 2HD1 ILE 34 1.003 1.191 -6.537 272 3HD1 ILE 34 3HD1 ILE 34 2.691 0.693 -6.646 273 H GLY 35 HN GLY 35 1.293 4.081 -10.530 274 1HA GLY 35 2HA GLY 35 -0.155 3.308 -12.606 275 2HA GLY 35 1HA GLY 35 -1.294 4.406 -11.843 Start of MODEL 13 1 HN PCA 1 HN PCA 1 -12.172 -7.781 -1.665 2 HA PCA 1 HA PCA 1 -12.130 -8.934 -3.993 3 1HB PCA 1 1HB PCA 1 -15.140 -8.981 -3.816 4 2HB PCA 1 2HB PCA 1 -14.025 -10.187 -4.527 5 1HG PCA 1 1HG PCA 1 -15.225 -10.465 -2.019 6 2HG PCA 1 2HG PCA 1 -13.678 -11.245 -2.476 7 H GLN 2 H GLN 2 -12.071 -6.277 -2.831 8 HA GLN 2 HA GLN 2 -13.648 -4.785 -4.824 9 1HB GLN 2 2HB GLN 2 -14.482 -4.132 -2.722 10 2HB GLN 2 1HB GLN 2 -12.877 -4.084 -2.005 11 1HG GLN 2 2HG GLN 2 -12.404 -2.179 -3.640 12 2HG GLN 2 1HG GLN 2 -14.149 -2.127 -3.880 13 1HE2 GLN 2 1HE2 GLN 2 -11.952 -2.462 -1.108 14 2HE2 GLN 2 2HE2 GLN 2 -12.703 -1.238 -0.148 15 H CYS 3 H CYS 3 -12.649 -2.571 -5.235 16 HA CYS 3 HA CYS 3 -10.033 -3.000 -6.315 17 1HB CYS 3 2HB CYS 3 -10.361 -1.056 -7.496 18 2HB CYS 3 1HB CYS 3 -12.034 -1.478 -7.168 19 H VAL 4 H VAL 4 -9.064 -0.339 -6.027 20 HA VAL 4 HA VAL 4 -8.646 0.224 -3.239 21 HB VAL 4 HB VAL 4 -6.253 -0.625 -4.868 22 1HG1 VAL 4 1HG1 VAL 4 -6.587 0.312 -2.031 23 2HG1 VAL 4 2HG1 VAL 4 -5.618 1.041 -3.312 24 3HG1 VAL 4 3HG1 VAL 4 -5.137 -0.505 -2.613 25 1HG2 VAL 4 1HG2 VAL 4 -7.675 -2.548 -4.268 26 2HG2 VAL 4 2HG2 VAL 4 -7.565 -2.076 -2.572 27 3HG2 VAL 4 3HG2 VAL 4 -6.117 -2.582 -3.443 28 H LYS 5 H LYS 5 -8.351 2.347 -3.028 29 HA LYS 5 HA LYS 5 -8.217 4.002 -5.344 30 1HB LYS 5 2HB LYS 5 -9.065 4.284 -2.683 31 2HB LYS 5 1HB LYS 5 -7.764 5.440 -2.902 32 1HG LYS 5 2HG LYS 5 -9.299 6.804 -3.747 33 2HG LYS 5 1HG LYS 5 -9.282 5.766 -5.174 34 1HD LYS 5 2HD LYS 5 -10.972 4.354 -3.684 35 2HD LYS 5 1HD LYS 5 -11.262 5.940 -2.967 36 1HE LYS 5 2HE LYS 5 -12.307 4.892 -5.372 37 2HE LYS 5 1HE LYS 5 -12.548 6.499 -4.687 38 1HZ LYS 5 1HZ LYS 5 -11.386 6.013 -7.054 39 2HZ LYS 5 2HZ LYS 5 -10.028 6.136 -6.054 40 3HZ LYS 5 3HZ LYS 5 -11.133 7.415 -6.141 41 H LYS 6 H LYS 6 -6.607 5.531 -5.872 42 HA LYS 6 HA LYS 6 -3.960 4.618 -5.659 43 1HB LYS 6 2HB LYS 6 -4.488 5.974 -7.525 44 2HB LYS 6 1HB LYS 6 -5.152 7.249 -6.513 45 1HG LYS 6 2HG LYS 6 -3.188 8.257 -6.811 46 2HG LYS 6 1HG LYS 6 -2.570 7.102 -5.628 47 1HD LYS 6 2HD LYS 6 -2.110 5.552 -7.572 48 2HD LYS 6 1HD LYS 6 -2.459 6.919 -8.632 49 1HE LYS 6 2HE LYS 6 -0.137 6.964 -8.398 50 2HE LYS 6 1HE LYS 6 -0.704 8.183 -7.258 51 1HZ LYS 6 1HZ LYS 6 0.977 6.816 -6.240 52 2HZ LYS 6 2HZ LYS 6 0.114 5.406 -6.595 53 3HZ LYS 6 3HZ LYS 6 -0.509 6.520 -5.486 54 H ASP 7 H ASP 7 -2.281 5.144 -4.334 55 HA ASP 7 HA ASP 7 -1.118 6.343 -2.708 56 1HB ASP 7 2HB ASP 7 -3.802 7.662 -2.297 57 2HB ASP 7 1HB ASP 7 -2.428 7.956 -1.236 58 H GLU 8 H GLU 8 -3.845 4.374 -2.439 59 HA GLU 8 HA GLU 8 -3.560 3.921 0.420 60 1HB GLU 8 2HB GLU 8 -5.472 2.964 -1.684 61 2HB GLU 8 1HB GLU 8 -5.363 2.122 -0.144 62 1HG GLU 8 2HG GLU 8 -5.630 5.030 0.077 63 2HG GLU 8 1HG GLU 8 -7.008 4.215 -0.664 64 H LEU 9 H LEU 9 -3.012 1.882 1.322 65 HA LEU 9 HA LEU 9 -0.863 0.595 0.030 66 1HB LEU 9 2HB LEU 9 -2.462 -0.048 2.493 67 2HB LEU 9 1HB LEU 9 -1.102 -1.022 1.969 68 HG LEU 9 HG LEU 9 -0.954 1.081 3.700 69 1HD1 LEU 9 1HD1 LEU 9 1.527 0.807 2.271 70 2HD1 LEU 9 2HD1 LEU 9 0.759 -0.764 2.500 71 3HD1 LEU 9 3HD1 LEU 9 1.099 0.263 3.894 72 1HD2 LEU 9 1HD2 LEU 9 -0.987 2.203 1.064 73 2HD2 LEU 9 2HD2 LEU 9 0.592 2.458 1.804 74 3HD2 LEU 9 3HD2 LEU 9 -0.866 3.019 2.623 75 H CYS 10 H CYS 10 -0.933 -1.997 0.258 76 HA CYS 10 HA CYS 10 -3.160 -3.494 -0.352 77 1HB CYS 10 2HB CYS 10 -3.148 -1.840 -2.350 78 2HB CYS 10 1HB CYS 10 -1.790 -2.798 -2.932 79 H ILE 11 H ILE 11 -2.448 -5.468 -1.884 80 HA ILE 11 HA ILE 11 0.367 -6.058 -1.398 81 HB ILE 11 HB ILE 11 -1.559 -8.258 -0.892 82 1HG1 ILE 11 2HG1 ILE 11 -0.867 -6.226 1.236 83 2HG1 ILE 11 1HG1 ILE 11 -2.410 -6.263 0.387 84 1HG2 ILE 11 1HG2 ILE 11 1.213 -7.502 -0.148 85 2HG2 ILE 11 2HG2 ILE 11 0.570 -9.051 -0.692 86 3HG2 ILE 11 3HG2 ILE 11 0.309 -8.523 0.971 87 1HD1 ILE 11 1HD1 ILE 11 -2.121 -8.844 1.295 88 2HD1 ILE 11 2HD1 ILE 11 -3.110 -7.581 2.027 89 3HD1 ILE 11 3HD1 ILE 11 -1.470 -7.865 2.608 90 HA PRO 12 HA PRO 12 -0.160 -7.207 -5.701 91 1HB PRO 12 2HB PRO 12 2.633 -8.116 -5.344 92 2HB PRO 12 1HB PRO 12 1.963 -6.975 -6.513 93 1HG PRO 12 2HG PRO 12 3.455 -6.135 -4.460 94 2HG PRO 12 1HG PRO 12 2.065 -5.196 -5.036 95 1HD PRO 12 2HD PRO 12 2.289 -6.975 -2.640 96 2HD PRO 12 1HD PRO 12 1.467 -5.410 -2.809 97 H TYR 13 H TYR 13 -0.622 -9.037 -3.283 98 HA TYR 13 HA TYR 13 -0.770 -11.472 -4.795 99 1HB TYR 13 2HB TYR 13 0.924 -11.503 -2.292 100 2HB TYR 13 1HB TYR 13 0.611 -12.849 -3.382 101 HD1 TYR 13 HD1 TYR 13 2.369 -9.619 -3.043 102 HD2 TYR 13 HD2 TYR 13 1.900 -13.157 -5.360 103 HE1 TYR 13 HE1 TYR 13 4.387 -9.040 -4.325 104 HE2 TYR 13 HE2 TYR 13 3.917 -12.588 -6.647 105 HH TYR 13 HH TYR 13 5.605 -11.168 -6.896 106 H TYR 14 H TYR 14 -2.157 -9.405 -2.884 107 HA TYR 14 HA TYR 14 -3.781 -11.439 -1.523 108 1HB TYR 14 2HB TYR 14 -2.267 -9.242 -0.315 109 2HB TYR 14 1HB TYR 14 -3.966 -9.249 0.145 110 HD1 TYR 14 HD1 TYR 14 -1.050 -10.056 1.474 111 HD2 TYR 14 HD2 TYR 14 -4.626 -12.062 0.338 112 HE1 TYR 14 HE1 TYR 14 -0.587 -11.810 3.134 113 HE2 TYR 14 HE2 TYR 14 -4.172 -13.821 1.994 114 HH TYR 14 HH TYR 14 -1.602 -14.617 3.179 115 H LEU 15 H LEU 15 -3.546 -8.180 -2.839 116 HA LEU 15 HA LEU 15 -6.332 -8.322 -3.649 117 1HB LEU 15 2HB LEU 15 -5.736 -5.712 -2.489 118 2HB LEU 15 1HB LEU 15 -7.166 -6.713 -2.327 119 HG LEU 15 HG LEU 15 -5.847 -8.100 -0.657 120 1HD1 LEU 15 1HD1 LEU 15 -3.831 -7.420 0.152 121 2HD1 LEU 15 2HD1 LEU 15 -4.115 -5.726 -0.244 122 3HD1 LEU 15 3HD1 LEU 15 -3.676 -6.867 -1.515 123 1HD2 LEU 15 1HD2 LEU 15 -6.912 -5.367 -0.307 124 2HD2 LEU 15 2HD2 LEU 15 -5.985 -6.036 1.036 125 3HD2 LEU 15 3HD2 LEU 15 -7.411 -6.885 0.438 126 H ASP 16 H ASP 16 -6.878 -6.143 -4.842 127 HA ASP 16 HA ASP 16 -4.538 -5.206 -6.345 128 1HB ASP 16 2HB ASP 16 -7.042 -5.674 -7.883 129 2HB ASP 16 1HB ASP 16 -5.363 -5.784 -8.405 130 H CYS 17 H CYS 17 -5.032 -3.230 -7.638 131 HA CYS 17 HA CYS 17 -6.677 -1.450 -6.045 132 1HB CYS 17 2HB CYS 17 -4.722 -0.945 -8.291 133 2HB CYS 17 1HB CYS 17 -5.617 0.317 -7.465 134 H CYS 18 H CYS 18 -7.901 0.289 -7.314 135 HA CYS 18 HA CYS 18 -9.950 -0.965 -8.780 136 1HB CYS 18 2HB CYS 18 -9.561 1.971 -9.046 137 2HB CYS 18 1HB CYS 18 -11.026 1.049 -8.736 138 H GLU 19 H GLU 19 -8.731 1.938 -10.220 139 HA GLU 19 HA GLU 19 -7.150 0.945 -12.274 140 1HB GLU 19 2HB GLU 19 -9.034 -0.372 -13.003 141 2HB GLU 19 1HB GLU 19 -10.092 1.030 -12.955 142 1HG GLU 19 2HG GLU 19 -9.081 1.992 -14.844 143 2HG GLU 19 1HG GLU 19 -7.701 0.898 -14.760 144 HA PRO 20 HA PRO 20 -6.656 1.433 -14.315 145 1HB PRO 20 2HB PRO 20 -4.613 2.803 -15.380 146 2HB PRO 20 1HB PRO 20 -6.257 2.953 -16.013 147 1HG PRO 20 2HG PRO 20 -4.754 4.787 -14.189 148 2HG PRO 20 1HG PRO 20 -5.808 5.185 -15.558 149 1HD PRO 20 2HD PRO 20 -6.594 5.273 -12.923 150 2HD PRO 20 1HD PRO 20 -7.704 5.047 -14.288 151 H LEU 21 H LEU 21 -5.749 3.106 -11.589 152 HA LEU 21 HA LEU 21 -3.091 2.707 -11.143 153 1HB LEU 21 2HB LEU 21 -5.115 2.011 -9.036 154 2HB LEU 21 1HB LEU 21 -3.536 2.743 -8.828 155 HG LEU 21 HG LEU 21 -5.714 4.187 -10.305 156 1HD1 LEU 21 1HD1 LEU 21 -5.433 3.748 -7.379 157 2HD1 LEU 21 2HD1 LEU 21 -6.885 3.940 -8.362 158 3HD1 LEU 21 3HD1 LEU 21 -5.909 5.349 -7.945 159 1HD2 LEU 21 1HD2 LEU 21 -3.888 5.691 -8.624 160 2HD2 LEU 21 2HD2 LEU 21 -4.277 5.890 -10.333 161 3HD2 LEU 21 3HD2 LEU 21 -3.044 4.730 -9.838 162 H GLU 22 H GLU 22 -2.025 1.039 -9.743 163 HA GLU 22 HA GLU 22 -3.067 -1.661 -10.244 164 1HB GLU 22 2HB GLU 22 -1.293 -0.984 -11.919 165 2HB GLU 22 1HB GLU 22 -0.159 -0.924 -10.576 166 1HG GLU 22 2HG GLU 22 -0.719 -3.312 -10.106 167 2HG GLU 22 1HG GLU 22 -1.648 -3.324 -11.604 168 H CYS 23 H CYS 23 -3.239 -2.742 -8.411 169 HA CYS 23 HA CYS 23 -2.182 -1.802 -5.956 170 1HB CYS 23 2HB CYS 23 -4.143 -2.998 -5.674 171 2HB CYS 23 1HB CYS 23 -3.686 -4.228 -6.846 172 H LYS 24 H LYS 24 0.087 -1.658 -6.313 173 HA LYS 24 HA LYS 24 1.464 -4.184 -5.840 174 1HB LYS 24 2HB LYS 24 2.628 -4.246 -7.762 175 2HB LYS 24 1HB LYS 24 1.385 -3.169 -8.386 176 1HG LYS 24 2HG LYS 24 3.182 -1.494 -7.086 177 2HG LYS 24 1HG LYS 24 4.184 -2.674 -7.926 178 1HD LYS 24 2HD LYS 24 2.000 -1.757 -9.586 179 2HD LYS 24 1HD LYS 24 2.993 -0.413 -9.018 180 1HE LYS 24 2HE LYS 24 3.857 -1.219 -11.121 181 2HE LYS 24 1HE LYS 24 5.001 -1.591 -9.832 182 1HZ LYS 24 1HZ LYS 24 3.256 -3.417 -11.345 183 2HZ LYS 24 2HZ LYS 24 3.769 -3.844 -9.791 184 3HZ LYS 24 3HZ LYS 24 4.909 -3.552 -11.007 185 H LYS 25 H LYS 25 4.062 -3.225 -6.097 186 HA LYS 25 HA LYS 25 4.336 -1.743 -3.656 187 1HB LYS 25 2HB LYS 25 6.000 -3.366 -3.993 188 2HB LYS 25 1HB LYS 25 6.264 -2.878 -5.662 189 1HG LYS 25 2HG LYS 25 7.293 -0.802 -4.899 190 2HG LYS 25 1HG LYS 25 7.018 -1.281 -3.222 191 1HD LYS 25 2HD LYS 25 9.338 -1.706 -4.081 192 2HD LYS 25 1HD LYS 25 8.518 -3.121 -3.421 193 1HE LYS 25 2HE LYS 25 8.355 -4.141 -5.445 194 2HE LYS 25 1HE LYS 25 8.200 -2.618 -6.320 195 1HZ LYS 25 1HZ LYS 25 10.317 -2.848 -6.881 196 2HZ LYS 25 2HZ LYS 25 10.517 -4.186 -5.867 197 3HZ LYS 25 3HZ LYS 25 10.745 -2.624 -5.259 198 H VAL 26 H VAL 26 4.529 0.366 -3.396 199 HA VAL 26 HA VAL 26 4.546 2.093 -5.735 200 HB VAL 26 HB VAL 26 4.618 3.333 -3.066 201 1HG1 VAL 26 1HG1 VAL 26 2.474 4.363 -4.165 202 2HG1 VAL 26 2HG1 VAL 26 3.140 3.651 -5.634 203 3HG1 VAL 26 3HG1 VAL 26 4.081 4.831 -4.722 204 1HG2 VAL 26 1HG2 VAL 26 3.287 1.094 -2.906 205 2HG2 VAL 26 2HG2 VAL 26 2.049 1.992 -3.784 206 3HG2 VAL 26 3HG2 VAL 26 2.614 2.571 -2.217 207 H ASN 27 H ASN 27 6.658 0.953 -3.284 208 HA ASN 27 HA ASN 27 8.815 2.612 -4.362 209 1HB ASN 27 2HB ASN 27 9.110 2.172 -1.518 210 2HB ASN 27 1HB ASN 27 9.270 3.658 -2.440 211 1HD2 ASN 27 1HD2 ASN 27 8.175 3.666 0.069 212 2HD2 ASN 27 2HD2 ASN 27 6.489 4.027 -0.036 213 H TRP 28 H TRP 28 9.525 0.948 -1.507 214 HA TRP 28 HA TRP 28 10.440 -1.432 -2.949 215 1HB TRP 28 2HB TRP 28 12.628 -1.224 -2.311 216 2HB TRP 28 1HB TRP 28 12.214 0.488 -2.370 217 HD1 TRP 28 HD1 TRP 28 10.802 0.937 0.344 218 HE1 TRP 28 HE1 TRP 28 12.073 0.702 2.569 219 HE3 TRP 28 HE3 TRP 28 14.664 -2.010 -1.241 220 HZ2 TRP 28 HZ2 TRP 28 14.408 -0.565 3.525 221 HZ3 TRP 28 HZ3 TRP 28 16.376 -2.691 0.391 222 HH2 TRP 28 HH2 TRP 28 16.248 -1.982 2.725 223 H TRP 29 H TRP 29 9.173 0.066 -0.139 224 HA TRP 29 HA TRP 29 8.932 -2.568 1.154 225 1HB TRP 29 2HB TRP 29 9.618 -1.784 3.189 226 2HB TRP 29 1HB TRP 29 10.543 -0.686 2.168 227 HD1 TRP 29 HD1 TRP 29 7.171 -0.734 4.079 228 HE1 TRP 29 HE1 TRP 29 6.658 1.668 4.846 229 HE3 TRP 29 HE3 TRP 29 11.121 1.672 1.903 230 HZ2 TRP 29 HZ2 TRP 29 7.781 4.244 4.566 231 HZ3 TRP 29 HZ3 TRP 29 11.328 4.105 2.200 232 HH2 TRP 29 HH2 TRP 29 9.692 5.363 3.504 233 H ASP 30 H ASP 30 7.553 0.590 0.524 234 HA ASP 30 HA ASP 30 5.066 -0.094 1.869 235 1HB ASP 30 2HB ASP 30 6.389 2.298 1.395 236 2HB ASP 30 1HB ASP 30 5.029 2.345 0.279 237 H HIS 31 H HIS 31 3.524 -1.185 0.869 238 HA HIS 31 HA HIS 31 3.427 -1.160 -2.061 239 1HB HIS 31 2HB HIS 31 2.659 -3.126 0.041 240 2HB HIS 31 1HB HIS 31 1.742 -3.126 -1.458 241 HD1 HIS 31 HD1 HIS 31 5.348 -3.404 -0.306 242 HD2 HIS 31 HD2 HIS 31 2.906 -4.540 -3.470 243 HE1 HIS 31 HE1 HIS 31 6.775 -4.878 -1.759 244 HE2 HIS 31 HE2 HIS 31 5.302 -5.485 -3.712 245 H LYS 32 H LYS 32 1.915 0.041 -3.013 246 HA LYS 32 HA LYS 32 -0.706 0.323 -1.765 247 1HB LYS 32 2HB LYS 32 0.811 2.713 -2.803 248 2HB LYS 32 1HB LYS 32 -0.748 2.708 -1.990 249 1HG LYS 32 2HG LYS 32 0.473 1.754 0.019 250 2HG LYS 32 1HG LYS 32 1.965 2.188 -0.821 251 1HD LYS 32 2HD LYS 32 -0.190 3.966 0.251 252 2HD LYS 32 1HD LYS 32 1.554 4.047 0.509 253 1HE LYS 32 2HE LYS 32 1.770 4.595 -1.944 254 2HE LYS 32 1HE LYS 32 0.016 4.772 -1.977 255 1HZ LYS 32 1HZ LYS 32 0.461 6.377 -0.006 256 2HZ LYS 32 2HZ LYS 32 0.701 6.910 -1.593 257 3HZ LYS 32 3HZ LYS 32 2.026 6.452 -0.647 258 H CYS 33 H CYS 33 -1.352 2.454 -3.644 259 HA CYS 33 HA CYS 33 -1.765 0.808 -6.028 260 1HB CYS 33 2HB CYS 33 -3.232 3.103 -4.774 261 2HB CYS 33 1HB CYS 33 -3.494 2.694 -6.461 262 H ILE 34 H ILE 34 -1.043 1.445 -8.010 263 HA ILE 34 HA ILE 34 0.242 4.088 -8.196 264 HB ILE 34 HB ILE 34 1.659 2.453 -9.948 265 1HG1 ILE 34 2HG1 ILE 34 0.671 0.519 -8.672 266 2HG1 ILE 34 1HG1 ILE 34 2.431 0.580 -8.666 267 1HG2 ILE 34 1HG2 ILE 34 3.056 3.933 -9.020 268 2HG2 ILE 34 2HG2 ILE 34 3.295 2.715 -7.767 269 3HG2 ILE 34 3HG2 ILE 34 2.125 4.011 -7.525 270 1HD1 ILE 34 1HD1 ILE 34 0.929 0.180 -6.478 271 2HD1 ILE 34 2HD1 ILE 34 1.110 1.933 -6.420 272 3HD1 ILE 34 3HD1 ILE 34 2.538 0.900 -6.449 273 H GLY 35 HN GLY 35 1.120 3.722 -10.879 274 1HA GLY 35 2HA GLY 35 -1.013 2.931 -12.582 275 2HA GLY 35 1HA GLY 35 -1.056 4.667 -12.314 Start of MODEL 14 1 HN PCA 1 HN PCA 1 -14.032 -8.923 -4.749 2 HA PCA 1 HA PCA 1 -13.444 -7.998 -2.471 3 1HB PCA 1 1HB PCA 1 -10.697 -7.450 -2.727 4 2HB PCA 1 2HB PCA 1 -11.369 -8.905 -1.934 5 1HG PCA 1 1HG PCA 1 -10.189 -8.610 -4.686 6 2HG PCA 1 2HG PCA 1 -10.273 -10.059 -3.636 7 H GLN 2 H GLN 2 -13.759 -5.862 -2.211 8 HA GLN 2 HA GLN 2 -14.281 -4.125 -4.232 9 1HB GLN 2 2HB GLN 2 -13.024 -2.937 -1.811 10 2HB GLN 2 1HB GLN 2 -14.513 -2.495 -2.636 11 1HG GLN 2 2HG GLN 2 -15.613 -4.467 -1.695 12 2HG GLN 2 1HG GLN 2 -14.121 -4.893 -0.859 13 1HE2 GLN 2 1HE2 GLN 2 -14.366 -4.512 1.218 14 2HE2 GLN 2 2HE2 GLN 2 -15.076 -3.102 1.919 15 H CYS 3 H CYS 3 -13.194 -2.400 -5.244 16 HA CYS 3 HA CYS 3 -10.605 -2.944 -6.144 17 1HB CYS 3 2HB CYS 3 -10.795 -1.046 -7.435 18 2HB CYS 3 1HB CYS 3 -12.492 -1.341 -7.081 19 H VAL 4 H VAL 4 -9.513 -0.270 -6.006 20 HA VAL 4 HA VAL 4 -8.965 0.351 -3.255 21 HB VAL 4 HB VAL 4 -6.671 -0.650 -4.944 22 1HG1 VAL 4 1HG1 VAL 4 -5.483 -0.526 -2.714 23 2HG1 VAL 4 2HG1 VAL 4 -6.866 0.403 -2.137 24 3HG1 VAL 4 3HG1 VAL 4 -5.887 1.015 -3.469 25 1HG2 VAL 4 1HG2 VAL 4 -6.563 -2.581 -3.513 26 2HG2 VAL 4 2HG2 VAL 4 -8.179 -2.480 -4.211 27 3HG2 VAL 4 3HG2 VAL 4 -7.907 -1.984 -2.540 28 H LYS 5 H LYS 5 -8.455 2.469 -3.098 29 HA LYS 5 HA LYS 5 -8.260 3.986 -5.538 30 1HB LYS 5 2HB LYS 5 -9.242 4.467 -2.947 31 2HB LYS 5 1HB LYS 5 -7.898 5.571 -3.177 32 1HG LYS 5 2HG LYS 5 -9.198 6.911 -4.358 33 2HG LYS 5 1HG LYS 5 -9.453 5.624 -5.538 34 1HD LYS 5 2HD LYS 5 -11.079 6.178 -3.059 35 2HD LYS 5 1HD LYS 5 -11.594 6.361 -4.736 36 1HE LYS 5 2HE LYS 5 -10.652 3.705 -3.740 37 2HE LYS 5 1HE LYS 5 -12.291 4.247 -3.382 38 1HZ LYS 5 1HZ LYS 5 -12.936 3.927 -5.487 39 2HZ LYS 5 2HZ LYS 5 -11.570 2.939 -5.612 40 3HZ LYS 5 3HZ LYS 5 -11.504 4.543 -6.146 41 H LYS 6 H LYS 6 -6.549 5.401 -6.075 42 HA LYS 6 HA LYS 6 -3.967 4.426 -5.673 43 1HB LYS 6 2HB LYS 6 -4.742 5.956 -7.527 44 2HB LYS 6 1HB LYS 6 -4.663 7.282 -6.375 45 1HG LYS 6 2HG LYS 6 -2.246 5.597 -6.694 46 2HG LYS 6 1HG LYS 6 -2.662 6.703 -8.005 47 1HD LYS 6 2HD LYS 6 -2.599 7.659 -5.167 48 2HD LYS 6 1HD LYS 6 -1.108 7.527 -6.103 49 1HE LYS 6 2HE LYS 6 -2.139 8.959 -7.848 50 2HE LYS 6 1HE LYS 6 -3.544 9.162 -6.802 51 1HZ LYS 6 1HZ LYS 6 -2.263 11.023 -6.368 52 2HZ LYS 6 2HZ LYS 6 -0.800 10.175 -6.424 53 3HZ LYS 6 3HZ LYS 6 -1.835 9.987 -5.100 54 H ASP 7 H ASP 7 -2.274 5.027 -4.367 55 HA ASP 7 HA ASP 7 -1.164 6.158 -2.674 56 1HB ASP 7 2HB ASP 7 -3.001 8.018 -3.176 57 2HB ASP 7 1HB ASP 7 -3.648 7.443 -1.641 58 H GLU 8 H GLU 8 -3.830 4.159 -2.572 59 HA GLU 8 HA GLU 8 -3.770 3.709 0.303 60 1HB GLU 8 2HB GLU 8 -5.475 2.752 -1.963 61 2HB GLU 8 1HB GLU 8 -5.425 1.812 -0.478 62 1HG GLU 8 2HG GLU 8 -5.816 4.605 0.094 63 2HG GLU 8 1HG GLU 8 -7.032 4.014 -1.037 64 H LEU 9 H LEU 9 -3.231 1.676 1.238 65 HA LEU 9 HA LEU 9 -0.953 0.459 0.075 66 1HB LEU 9 2HB LEU 9 -2.646 -0.239 2.464 67 2HB LEU 9 1HB LEU 9 -1.190 -1.111 2.030 68 HG LEU 9 HG LEU 9 -1.307 1.013 3.742 69 1HD1 LEU 9 1HD1 LEU 9 1.194 0.552 2.194 70 2HD1 LEU 9 2HD1 LEU 9 0.510 -0.772 3.137 71 3HD1 LEU 9 3HD1 LEU 9 0.961 0.736 3.933 72 1HD2 LEU 9 1HD2 LEU 9 -1.189 2.959 2.689 73 2HD2 LEU 9 2HD2 LEU 9 -1.329 2.130 1.139 74 3HD2 LEU 9 3HD2 LEU 9 0.262 2.425 1.841 75 H CYS 10 H CYS 10 -0.889 -2.087 0.167 76 HA CYS 10 HA CYS 10 -3.065 -3.675 -0.426 77 1HB CYS 10 2HB CYS 10 -3.080 -1.947 -2.403 78 2HB CYS 10 1HB CYS 10 -1.780 -2.949 -3.031 79 H ILE 11 H ILE 11 -2.241 -5.540 -2.110 80 HA ILE 11 HA ILE 11 0.587 -6.044 -1.661 81 HB ILE 11 HB ILE 11 -1.276 -8.268 -1.001 82 1HG1 ILE 11 2HG1 ILE 11 -0.372 -6.717 1.323 83 2HG1 ILE 11 1HG1 ILE 11 -1.557 -5.882 0.324 84 1HG2 ILE 11 1HG2 ILE 11 0.882 -9.040 -0.993 85 2HG2 ILE 11 2HG2 ILE 11 0.721 -8.551 0.694 86 3HG2 ILE 11 3HG2 ILE 11 1.546 -7.497 -0.455 87 1HD1 ILE 11 1HD1 ILE 11 -1.844 -8.463 1.807 88 2HD1 ILE 11 2HD1 ILE 11 -2.934 -8.024 0.492 89 3HD1 ILE 11 3HD1 ILE 11 -2.820 -7.000 1.923 90 HA PRO 12 HA PRO 12 -0.001 -7.389 -5.882 91 1HB PRO 12 2HB PRO 12 2.759 -8.390 -5.545 92 2HB PRO 12 1HB PRO 12 2.118 -7.240 -6.721 93 1HG PRO 12 2HG PRO 12 3.678 -6.439 -4.698 94 2HG PRO 12 1HG PRO 12 2.331 -5.444 -5.283 95 1HD PRO 12 2HD PRO 12 2.489 -7.183 -2.851 96 2HD PRO 12 1HD PRO 12 1.743 -5.583 -3.046 97 H TYR 13 H TYR 13 -0.521 -9.110 -3.410 98 HA TYR 13 HA TYR 13 -0.795 -11.588 -4.814 99 1HB TYR 13 2HB TYR 13 0.730 -12.047 -2.332 100 2HB TYR 13 1HB TYR 13 0.832 -12.868 -3.886 101 HD1 TYR 13 HD1 TYR 13 2.862 -12.694 -4.954 102 HD2 TYR 13 HD2 TYR 13 1.552 -9.453 -2.530 103 HE1 TYR 13 HE1 TYR 13 4.943 -11.484 -5.457 104 HE2 TYR 13 HE2 TYR 13 3.629 -8.234 -3.027 105 HH TYR 13 HH TYR 13 6.076 -8.983 -3.743 106 H TYR 14 H TYR 14 -2.389 -9.595 -3.347 107 HA TYR 14 HA TYR 14 -3.865 -11.475 -1.693 108 1HB TYR 14 2HB TYR 14 -2.241 -9.336 -0.589 109 2HB TYR 14 1HB TYR 14 -3.934 -9.156 -0.143 110 HD1 TYR 14 HD1 TYR 14 -4.470 -12.227 -0.196 111 HD2 TYR 14 HD2 TYR 14 -1.499 -9.808 1.656 112 HE1 TYR 14 HE1 TYR 14 -4.187 -13.927 1.558 113 HE2 TYR 14 HE2 TYR 14 -1.208 -11.502 3.415 114 HH TYR 14 HH TYR 14 -2.694 -14.637 3.212 115 H LEU 15 H LEU 15 -3.669 -8.117 -2.857 116 HA LEU 15 HA LEU 15 -6.478 -8.310 -3.657 117 1HB LEU 15 2HB LEU 15 -5.826 -5.675 -2.612 118 2HB LEU 15 1HB LEU 15 -7.234 -6.680 -2.326 119 HG LEU 15 HG LEU 15 -5.200 -7.913 -0.889 120 1HD1 LEU 15 1HD1 LEU 15 -3.649 -6.262 -0.739 121 2HD1 LEU 15 2HD1 LEU 15 -4.701 -5.759 0.583 122 3HD1 LEU 15 3HD1 LEU 15 -4.830 -4.978 -0.993 123 1HD2 LEU 15 1HD2 LEU 15 -7.590 -6.255 -0.270 124 2HD2 LEU 15 2HD2 LEU 15 -6.498 -6.691 1.045 125 3HD2 LEU 15 3HD2 LEU 15 -7.270 -7.952 0.084 126 H ASP 16 H ASP 16 -7.019 -6.029 -4.768 127 HA ASP 16 HA ASP 16 -4.781 -5.164 -6.439 128 1HB ASP 16 2HB ASP 16 -6.223 -5.376 -8.480 129 2HB ASP 16 1HB ASP 16 -5.756 -6.919 -7.768 130 H CYS 17 H CYS 17 -5.415 -3.227 -7.785 131 HA CYS 17 HA CYS 17 -6.985 -1.445 -6.104 132 1HB CYS 17 2HB CYS 17 -4.644 -1.061 -7.450 133 2HB CYS 17 1HB CYS 17 -5.799 -0.336 -8.560 134 H CYS 18 H CYS 18 -8.044 0.393 -7.647 135 HA CYS 18 HA CYS 18 -10.274 -0.954 -8.850 136 1HB CYS 18 2HB CYS 18 -9.927 1.985 -9.135 137 2HB CYS 18 1HB CYS 18 -11.365 1.052 -8.757 138 H GLU 19 H GLU 19 -8.496 1.805 -10.172 139 HA GLU 19 HA GLU 19 -7.292 0.749 -12.362 140 1HB GLU 19 2HB GLU 19 -9.169 -0.263 -13.279 141 2HB GLU 19 1HB GLU 19 -10.242 1.030 -12.764 142 1HG GLU 19 2HG GLU 19 -9.117 2.505 -14.450 143 2HG GLU 19 1HG GLU 19 -8.290 1.067 -15.048 144 HA PRO 20 HA PRO 20 -6.489 1.175 -14.031 145 1HB PRO 20 2HB PRO 20 -4.466 2.391 -15.275 146 2HB PRO 20 1HB PRO 20 -6.128 2.574 -15.845 147 1HG PRO 20 2HG PRO 20 -4.420 4.491 -14.353 148 2HG PRO 20 1HG PRO 20 -5.687 4.808 -15.548 149 1HD PRO 20 2HD PRO 20 -5.931 4.927 -12.727 150 2HD PRO 20 1HD PRO 20 -7.242 5.035 -13.916 151 H LEU 21 H LEU 21 -5.558 2.923 -11.416 152 HA LEU 21 HA LEU 21 -2.929 2.711 -10.911 153 1HB LEU 21 2HB LEU 21 -5.028 1.767 -8.962 154 2HB LEU 21 1HB LEU 21 -3.435 2.385 -8.569 155 HG LEU 21 HG LEU 21 -5.605 4.013 -9.891 156 1HD1 LEU 21 1HD1 LEU 21 -6.308 3.421 -7.662 157 2HD1 LEU 21 2HD1 LEU 21 -5.811 5.113 -7.692 158 3HD1 LEU 21 3HD1 LEU 21 -4.740 3.892 -7.008 159 1HD2 LEU 21 1HD2 LEU 21 -4.195 5.904 -9.425 160 2HD2 LEU 21 2HD2 LEU 21 -3.271 4.713 -10.340 161 3HD2 LEU 21 3HD2 LEU 21 -3.020 4.876 -8.603 162 H GLU 22 H GLU 22 -1.809 1.064 -9.425 163 HA GLU 22 HA GLU 22 -2.448 -1.682 -10.249 164 1HB GLU 22 2HB GLU 22 -0.374 -0.260 -11.346 165 2HB GLU 22 1HB GLU 22 0.422 -1.106 -10.025 166 1HG GLU 22 2HG GLU 22 0.600 -2.415 -12.021 167 2HG GLU 22 1HG GLU 22 -0.477 -3.233 -10.890 168 H CYS 23 H CYS 23 -3.083 -2.495 -8.330 169 HA CYS 23 HA CYS 23 -2.100 -1.770 -5.813 170 1HB CYS 23 2HB CYS 23 -4.109 -2.854 -5.628 171 2HB CYS 23 1HB CYS 23 -3.732 -4.001 -6.905 172 H LYS 24 H LYS 24 0.219 -1.755 -6.229 173 HA LYS 24 HA LYS 24 1.415 -4.286 -5.458 174 1HB LYS 24 2HB LYS 24 3.239 -3.731 -7.301 175 2HB LYS 24 1HB LYS 24 1.826 -4.710 -7.668 176 1HG LYS 24 2HG LYS 24 1.439 -3.312 -9.345 177 2HG LYS 24 1HG LYS 24 0.972 -2.121 -8.130 178 1HD LYS 24 2HD LYS 24 2.645 -1.250 -9.722 179 2HD LYS 24 1HD LYS 24 3.231 -1.257 -8.057 180 1HE LYS 24 2HE LYS 24 4.962 -2.518 -8.643 181 2HE LYS 24 1HE LYS 24 3.874 -3.755 -9.271 182 1HZ LYS 24 1HZ LYS 24 3.758 -2.359 -11.344 183 2HZ LYS 24 2HZ LYS 24 5.245 -3.112 -11.052 184 3HZ LYS 24 3HZ LYS 24 5.054 -1.462 -10.728 185 H LYS 25 H LYS 25 4.092 -3.462 -6.002 186 HA LYS 25 HA LYS 25 4.599 -1.906 -3.683 187 1HB LYS 25 2HB LYS 25 6.115 -3.671 -4.669 188 2HB LYS 25 1HB LYS 25 6.543 -2.505 -5.913 189 1HG LYS 25 2HG LYS 25 7.547 -1.053 -4.329 190 2HG LYS 25 1HG LYS 25 6.895 -1.978 -2.975 191 1HD LYS 25 2HD LYS 25 8.969 -2.887 -2.982 192 2HD LYS 25 1HD LYS 25 8.264 -3.919 -4.227 193 1HE LYS 25 2HE LYS 25 9.117 -2.371 -5.949 194 2HE LYS 25 1HE LYS 25 9.876 -1.409 -4.680 195 1HZ LYS 25 1HZ LYS 25 11.501 -2.858 -5.618 196 2HZ LYS 25 2HZ LYS 25 10.513 -4.214 -5.412 197 3HZ LYS 25 3HZ LYS 25 11.152 -3.421 -4.062 198 H VAL 26 H VAL 26 4.553 0.217 -3.459 199 HA VAL 26 HA VAL 26 4.399 1.924 -5.805 200 HB VAL 26 HB VAL 26 4.394 3.044 -3.046 201 1HG1 VAL 26 1HG1 VAL 26 2.531 4.383 -4.063 202 2HG1 VAL 26 2HG1 VAL 26 2.881 3.573 -5.591 203 3HG1 VAL 26 3HG1 VAL 26 4.108 4.584 -4.827 204 1HG2 VAL 26 1HG2 VAL 26 2.638 0.906 -3.899 205 2HG2 VAL 26 2HG2 VAL 26 1.741 2.371 -3.498 206 3HG2 VAL 26 3HG2 VAL 26 2.823 1.646 -2.310 207 H ASN 27 H ASN 27 6.643 0.967 -3.385 208 HA ASN 27 HA ASN 27 8.657 2.750 -4.526 209 1HB ASN 27 2HB ASN 27 9.091 2.466 -1.706 210 2HB ASN 27 1HB ASN 27 8.955 3.934 -2.661 211 1HD2 ASN 27 1HD2 ASN 27 7.963 3.258 0.030 212 2HD2 ASN 27 2HD2 ASN 27 6.264 3.566 -0.015 213 H TRP 28 H TRP 28 9.545 1.289 -1.635 214 HA TRP 28 HA TRP 28 10.574 -1.109 -2.965 215 1HB TRP 28 2HB TRP 28 12.763 -0.718 -2.427 216 2HB TRP 28 1HB TRP 28 12.230 0.952 -2.586 217 HD1 TRP 28 HD1 TRP 28 10.721 1.071 0.292 218 HE1 TRP 28 HE1 TRP 28 12.168 1.244 2.413 219 HE3 TRP 28 HE3 TRP 28 15.131 -0.699 -1.590 220 HZ2 TRP 28 HZ2 TRP 28 14.829 0.701 3.186 221 HZ3 TRP 28 HZ3 TRP 28 17.081 -0.842 -0.094 222 HH2 TRP 28 HH2 TRP 28 16.931 -0.155 2.244 223 H TRP 29 H TRP 29 9.072 0.358 -0.329 224 HA TRP 29 HA TRP 29 9.101 -2.177 1.138 225 1HB TRP 29 2HB TRP 29 9.872 -1.311 3.100 226 2HB TRP 29 1HB TRP 29 10.676 -0.184 2.011 227 HD1 TRP 29 HD1 TRP 29 7.455 -0.384 4.155 228 HE1 TRP 29 HE1 TRP 29 6.845 2.003 4.897 229 HE3 TRP 29 HE3 TRP 29 11.062 2.203 1.618 230 HZ2 TRP 29 HZ2 TRP 29 7.769 4.634 4.464 231 HZ3 TRP 29 HZ3 TRP 29 11.130 4.653 1.835 232 HH2 TRP 29 HH2 TRP 29 9.516 5.842 3.229 233 H ASP 30 H ASP 30 7.565 0.861 0.373 234 HA ASP 30 HA ASP 30 5.169 0.165 1.877 235 1HB ASP 30 2HB ASP 30 6.343 2.571 1.364 236 2HB ASP 30 1HB ASP 30 5.094 2.531 0.124 237 H HIS 31 H HIS 31 3.781 -1.195 0.961 238 HA HIS 31 HA HIS 31 3.541 -1.290 -1.945 239 1HB HIS 31 2HB HIS 31 2.817 -3.120 0.305 240 2HB HIS 31 1HB HIS 31 1.940 -3.258 -1.213 241 HD1 HIS 31 HD1 HIS 31 5.566 -3.216 -0.058 242 HD2 HIS 31 HD2 HIS 31 3.150 -4.911 -2.983 243 HE1 HIS 31 HE1 HIS 31 7.058 -4.786 -1.334 244 HE2 HIS 31 HE2 HIS 31 5.567 -5.833 -3.074 245 H LYS 32 H LYS 32 2.060 -0.049 -2.879 246 HA LYS 32 HA LYS 32 -0.597 0.151 -1.692 247 1HB LYS 32 2HB LYS 32 0.895 2.593 -2.657 248 2HB LYS 32 1HB LYS 32 -0.700 2.545 -1.920 249 1HG LYS 32 2HG LYS 32 0.162 2.685 0.116 250 2HG LYS 32 1HG LYS 32 1.255 1.332 -0.190 251 1HD LYS 32 2HD LYS 32 2.915 2.821 -0.086 252 2HD LYS 32 1HD LYS 32 2.351 3.405 -1.652 253 1HE LYS 32 2HE LYS 32 1.572 4.447 1.067 254 2HE LYS 32 1HE LYS 32 2.561 5.267 -0.141 255 1HZ LYS 32 1HZ LYS 32 0.728 6.105 -1.020 256 2HZ LYS 32 2HZ LYS 32 -0.220 5.320 0.139 257 3HZ LYS 32 3HZ LYS 32 0.128 4.553 -1.327 258 H CYS 33 H CYS 33 -1.230 2.292 -3.631 259 HA CYS 33 HA CYS 33 -1.436 0.596 -6.014 260 1HB CYS 33 2HB CYS 33 -3.167 2.710 -4.803 261 2HB CYS 33 1HB CYS 33 -3.282 2.369 -6.524 262 H ILE 34 H ILE 34 -0.555 1.232 -7.897 263 HA ILE 34 HA ILE 34 0.513 3.975 -8.047 264 HB ILE 34 HB ILE 34 2.051 2.631 -9.830 265 1HG1 ILE 34 2HG1 ILE 34 0.887 0.510 -8.843 266 2HG1 ILE 34 1HG1 ILE 34 2.624 0.491 -9.128 267 1HG2 ILE 34 1HG2 ILE 34 3.589 3.603 -8.560 268 2HG2 ILE 34 2HG2 ILE 34 3.306 2.433 -7.270 269 3HG2 ILE 34 3HG2 ILE 34 2.352 3.914 -7.342 270 1HD1 ILE 34 1HD1 ILE 34 2.673 -0.322 -7.039 271 2HD1 ILE 34 2HD1 ILE 34 1.115 0.386 -6.611 272 3HD1 ILE 34 3HD1 ILE 34 2.570 1.382 -6.594 273 H GLY 35 HN GLY 35 1.402 3.402 -10.820 274 1HA GLY 35 2HA GLY 35 -1.218 3.325 -12.168 275 2HA GLY 35 1HA GLY 35 -0.066 4.607 -12.514 Start of MODEL 15 1 HN PCA 1 HN PCA 1 -12.246 -8.610 -5.901 2 HA PCA 1 HA PCA 1 -13.338 -8.409 -3.420 3 1HB PCA 1 1HB PCA 1 -10.523 -7.599 -2.741 4 2HB PCA 1 2HB PCA 1 -11.702 -8.528 -1.768 5 1HG PCA 1 1HG PCA 1 -9.556 -9.624 -3.306 6 2HG PCA 1 2HG PCA 1 -10.927 -10.541 -2.610 7 H GLN 2 H GLN 2 -12.997 -6.169 -2.268 8 HA GLN 2 HA GLN 2 -13.747 -4.174 -4.020 9 1HB GLN 2 2HB GLN 2 -12.365 -3.073 -1.720 10 2HB GLN 2 1HB GLN 2 -14.070 -3.001 -2.141 11 1HG GLN 2 2HG GLN 2 -13.441 -5.637 -1.252 12 2HG GLN 2 1HG GLN 2 -12.840 -4.467 -0.078 13 1HE2 GLN 2 1HE2 GLN 2 -15.684 -5.567 -1.813 14 2HE2 GLN 2 2HE2 GLN 2 -16.841 -4.952 -0.686 15 H CYS 3 H CYS 3 -12.727 -2.526 -5.091 16 HA CYS 3 HA CYS 3 -10.146 -2.936 -6.066 17 1HB CYS 3 2HB CYS 3 -10.443 -1.010 -7.295 18 2HB CYS 3 1HB CYS 3 -12.118 -1.368 -6.899 19 H VAL 4 H VAL 4 -9.069 -0.300 -5.907 20 HA VAL 4 HA VAL 4 -8.506 0.298 -3.148 21 HB VAL 4 HB VAL 4 -6.168 -0.518 -4.858 22 1HG1 VAL 4 1HG1 VAL 4 -6.459 -0.016 -1.898 23 2HG1 VAL 4 2HG1 VAL 4 -5.681 1.053 -3.065 24 3HG1 VAL 4 3HG1 VAL 4 -4.979 -0.526 -2.712 25 1HG2 VAL 4 1HG2 VAL 4 -7.640 -2.460 -4.434 26 2HG2 VAL 4 2HG2 VAL 4 -7.486 -2.161 -2.703 27 3HG2 VAL 4 3HG2 VAL 4 -6.066 -2.603 -3.651 28 H LYS 5 H LYS 5 -8.247 2.409 -2.996 29 HA LYS 5 HA LYS 5 -8.128 4.033 -5.343 30 1HB LYS 5 2HB LYS 5 -8.995 4.364 -2.704 31 2HB LYS 5 1HB LYS 5 -7.666 5.493 -2.907 32 1HG LYS 5 2HG LYS 5 -9.810 6.530 -3.418 33 2HG LYS 5 1HG LYS 5 -8.762 6.477 -4.837 34 1HD LYS 5 2HD LYS 5 -9.983 4.301 -5.421 35 2HD LYS 5 1HD LYS 5 -11.177 4.800 -4.219 36 1HE LYS 5 2HE LYS 5 -11.312 5.461 -6.825 37 2HE LYS 5 1HE LYS 5 -12.004 6.436 -5.530 38 1HZ LYS 5 1HZ LYS 5 -9.355 6.830 -6.815 39 2HZ LYS 5 2HZ LYS 5 -9.921 7.719 -5.490 40 3HZ LYS 5 3HZ LYS 5 -10.715 7.824 -6.980 41 H LYS 6 H LYS 6 -6.547 5.649 -5.807 42 HA LYS 6 HA LYS 6 -3.890 4.737 -5.662 43 1HB LYS 6 2HB LYS 6 -4.075 6.143 -7.439 44 2HB LYS 6 1HB LYS 6 -5.274 7.156 -6.646 45 1HG LYS 6 2HG LYS 6 -3.286 8.439 -7.029 46 2HG LYS 6 1HG LYS 6 -3.471 8.171 -5.295 47 1HD LYS 6 2HD LYS 6 -1.733 6.615 -5.230 48 2HD LYS 6 1HD LYS 6 -1.794 6.335 -6.972 49 1HE LYS 6 2HE LYS 6 -0.507 8.526 -5.435 50 2HE LYS 6 1HE LYS 6 0.065 7.655 -6.857 51 1HZ LYS 6 1HZ LYS 6 -0.962 10.157 -6.860 52 2HZ LYS 6 2HZ LYS 6 -2.290 9.228 -7.348 53 3HZ LYS 6 3HZ LYS 6 -0.840 9.153 -8.217 54 H ASP 7 H ASP 7 -2.144 5.388 -4.435 55 HA ASP 7 HA ASP 7 -0.987 6.410 -2.728 56 1HB ASP 7 2HB ASP 7 -2.536 8.403 -3.171 57 2HB ASP 7 1HB ASP 7 -3.532 7.778 -1.860 58 H GLU 8 H GLU 8 -3.729 4.509 -2.550 59 HA GLU 8 HA GLU 8 -3.594 4.049 0.318 60 1HB GLU 8 2HB GLU 8 -5.430 3.242 -1.887 61 2HB GLU 8 1HB GLU 8 -5.343 2.203 -0.470 62 1HG GLU 8 2HG GLU 8 -5.591 4.931 0.354 63 2HG GLU 8 1HG GLU 8 -6.853 4.541 -0.814 64 H LEU 9 H LEU 9 -2.893 2.147 1.273 65 HA LEU 9 HA LEU 9 -0.784 0.789 0.033 66 1HB LEU 9 2HB LEU 9 -2.430 0.205 2.479 67 2HB LEU 9 1HB LEU 9 -1.088 -0.810 1.992 68 HG LEU 9 HG LEU 9 -0.915 1.315 3.689 69 1HD1 LEU 9 1HD1 LEU 9 1.563 0.909 2.245 70 2HD1 LEU 9 2HD1 LEU 9 0.753 -0.610 2.629 71 3HD1 LEU 9 3HD1 LEU 9 1.152 0.527 3.917 72 1HD2 LEU 9 1HD2 LEU 9 -0.428 3.249 2.689 73 2HD2 LEU 9 2HD2 LEU 9 -1.138 2.536 1.241 74 3HD2 LEU 9 3HD2 LEU 9 0.606 2.468 1.493 75 H CYS 10 H CYS 10 -0.905 -1.822 0.318 76 HA CYS 10 HA CYS 10 -3.104 -3.313 -0.277 77 1HB CYS 10 2HB CYS 10 -3.168 -1.621 -2.259 78 2HB CYS 10 1HB CYS 10 -1.867 -2.607 -2.917 79 H ILE 11 H ILE 11 -2.331 -5.127 -2.131 80 HA ILE 11 HA ILE 11 0.459 -5.775 -1.646 81 HB ILE 11 HB ILE 11 -1.483 -7.969 -1.167 82 1HG1 ILE 11 2HG1 ILE 11 -0.664 -6.072 1.036 83 2HG1 ILE 11 1HG1 ILE 11 -2.219 -5.974 0.213 84 1HG2 ILE 11 1HG2 ILE 11 0.986 -7.469 0.419 85 2HG2 ILE 11 2HG2 ILE 11 1.149 -7.982 -1.261 86 3HG2 ILE 11 3HG2 ILE 11 0.275 -8.994 -0.110 87 1HD1 ILE 11 1HD1 ILE 11 -1.423 -8.576 1.394 88 2HD1 ILE 11 2HD1 ILE 11 -3.021 -7.851 1.215 89 3HD1 ILE 11 3HD1 ILE 11 -1.929 -7.278 2.475 90 HA PRO 12 HA PRO 12 -0.225 -6.887 -5.934 91 1HB PRO 12 2HB PRO 12 2.358 -7.590 -6.441 92 2HB PRO 12 1HB PRO 12 1.803 -5.913 -6.394 93 1HG PRO 12 2HG PRO 12 3.202 -7.506 -4.281 94 2HG PRO 12 1HG PRO 12 3.479 -5.828 -4.786 95 1HD PRO 12 2HD PRO 12 2.069 -6.455 -2.567 96 2HD PRO 12 1HD PRO 12 1.692 -5.031 -3.560 97 H TYR 13 H TYR 13 -0.458 -8.780 -3.542 98 HA TYR 13 HA TYR 13 -0.533 -11.201 -5.086 99 1HB TYR 13 2HB TYR 13 1.525 -10.808 -2.931 100 2HB TYR 13 1HB TYR 13 0.869 -12.409 -3.257 101 HD1 TYR 13 HD1 TYR 13 3.401 -10.113 -4.093 102 HD2 TYR 13 HD2 TYR 13 0.947 -13.151 -5.780 103 HE1 TYR 13 HE1 TYR 13 5.020 -10.396 -5.921 104 HE2 TYR 13 HE2 TYR 13 2.560 -13.444 -7.613 105 HH TYR 13 HH TYR 13 5.487 -12.701 -7.625 106 H TYR 14 H TYR 14 -2.060 -9.279 -3.220 107 HA TYR 14 HA TYR 14 -3.485 -11.401 -1.796 108 1HB TYR 14 2HB TYR 14 -1.964 -9.234 -0.564 109 2HB TYR 14 1HB TYR 14 -3.645 -9.263 -0.042 110 HD1 TYR 14 HD1 TYR 14 -4.534 -11.661 0.644 111 HD2 TYR 14 HD2 TYR 14 -0.437 -10.520 0.586 112 HE1 TYR 14 HE1 TYR 14 -4.014 -13.471 2.223 113 HE2 TYR 14 HE2 TYR 14 0.096 -12.326 2.164 114 HH TYR 14 HH TYR 14 -2.071 -13.855 4.011 115 H LEU 15 H LEU 15 -3.413 -8.141 -3.088 116 HA LEU 15 HA LEU 15 -6.266 -8.311 -3.626 117 1HB LEU 15 2HB LEU 15 -5.509 -5.695 -2.546 118 2HB LEU 15 1HB LEU 15 -6.959 -6.647 -2.281 119 HG LEU 15 HG LEU 15 -5.309 -8.115 -0.826 120 1HD1 LEU 15 1HD1 LEU 15 -3.998 -5.974 0.325 121 2HD1 LEU 15 2HD1 LEU 15 -3.787 -5.719 -1.407 122 3HD1 LEU 15 3HD1 LEU 15 -3.272 -7.236 -0.669 123 1HD2 LEU 15 1HD2 LEU 15 -7.363 -6.947 -0.082 124 2HD2 LEU 15 2HD2 LEU 15 -6.401 -5.491 0.171 125 3HD2 LEU 15 3HD2 LEU 15 -6.077 -6.939 1.124 126 H ASP 16 H ASP 16 -6.972 -6.273 -4.881 127 HA ASP 16 HA ASP 16 -4.791 -5.362 -6.633 128 1HB ASP 16 2HB ASP 16 -7.552 -6.126 -7.600 129 2HB ASP 16 1HB ASP 16 -6.172 -5.659 -8.588 130 H CYS 17 H CYS 17 -5.261 -3.358 -7.792 131 HA CYS 17 HA CYS 17 -6.776 -1.541 -6.113 132 1HB CYS 17 2HB CYS 17 -4.915 -1.063 -8.446 133 2HB CYS 17 1HB CYS 17 -5.713 0.208 -7.536 134 H CYS 18 H CYS 18 -8.040 0.218 -7.267 135 HA CYS 18 HA CYS 18 -10.184 -0.936 -8.643 136 1HB CYS 18 2HB CYS 18 -9.674 1.973 -8.991 137 2HB CYS 18 1HB CYS 18 -11.162 1.126 -8.580 138 H GLU 19 H GLU 19 -8.757 1.857 -10.165 139 HA GLU 19 HA GLU 19 -7.349 0.816 -12.263 140 1HB GLU 19 2HB GLU 19 -9.781 -0.293 -12.510 141 2HB GLU 19 1HB GLU 19 -10.067 1.196 -13.400 142 1HG GLU 19 2HG GLU 19 -8.458 0.682 -15.010 143 2HG GLU 19 1HG GLU 19 -7.708 -0.549 -13.994 144 HA PRO 20 HA PRO 20 -6.914 1.227 -14.322 145 1HB PRO 20 2HB PRO 20 -4.936 2.589 -15.512 146 2HB PRO 20 1HB PRO 20 -6.602 2.676 -16.100 147 1HG PRO 20 2HG PRO 20 -5.081 4.627 -14.421 148 2HG PRO 20 1HG PRO 20 -6.196 4.934 -15.762 149 1HD PRO 20 2HD PRO 20 -6.874 5.121 -13.097 150 2HD PRO 20 1HD PRO 20 -8.034 4.829 -14.408 151 H LEU 21 H LEU 21 -6.230 2.556 -11.538 152 HA LEU 21 HA LEU 21 -3.459 2.413 -11.172 153 1HB LEU 21 2HB LEU 21 -5.591 1.794 -9.127 154 2HB LEU 21 1HB LEU 21 -3.935 2.269 -8.799 155 HG LEU 21 HG LEU 21 -5.758 4.091 -10.333 156 1HD1 LEU 21 1HD1 LEU 21 -7.002 3.580 -8.342 157 2HD1 LEU 21 2HD1 LEU 21 -6.303 5.190 -8.183 158 3HD1 LEU 21 3HD1 LEU 21 -5.575 3.824 -7.337 159 1HD2 LEU 21 1HD2 LEU 21 -3.530 4.812 -10.401 160 2HD2 LEU 21 2HD2 LEU 21 -3.246 4.382 -8.715 161 3HD2 LEU 21 3HD2 LEU 21 -4.265 5.766 -9.112 162 H GLU 22 H GLU 22 -2.449 0.762 -9.599 163 HA GLU 22 HA GLU 22 -3.400 -1.958 -10.120 164 1HB GLU 22 2HB GLU 22 -1.678 -1.239 -11.851 165 2HB GLU 22 1HB GLU 22 -0.511 -1.204 -10.537 166 1HG GLU 22 2HG GLU 22 -1.371 -3.643 -10.124 167 2HG GLU 22 1HG GLU 22 -1.867 -3.524 -11.811 168 H CYS 23 H CYS 23 -3.404 -3.108 -8.316 169 HA CYS 23 HA CYS 23 -2.321 -2.100 -5.885 170 1HB CYS 23 2HB CYS 23 -4.307 -3.398 -5.727 171 2HB CYS 23 1HB CYS 23 -3.605 -4.722 -6.649 172 H LYS 24 H LYS 24 -0.080 -1.873 -6.258 173 HA LYS 24 HA LYS 24 1.404 -4.369 -5.936 174 1HB LYS 24 2HB LYS 24 2.497 -4.280 -7.893 175 2HB LYS 24 1HB LYS 24 1.250 -3.151 -8.408 176 1HG LYS 24 2HG LYS 24 2.985 -1.517 -7.076 177 2HG LYS 24 1HG LYS 24 4.067 -2.693 -7.819 178 1HD LYS 24 2HD LYS 24 1.947 -1.701 -9.584 179 2HD LYS 24 1HD LYS 24 3.094 -0.470 -9.053 180 1HE LYS 24 2HE LYS 24 3.893 -1.415 -11.105 181 2HE LYS 24 1HE LYS 24 4.942 -1.955 -9.795 182 1HZ LYS 24 1HZ LYS 24 4.422 -4.069 -10.185 183 2HZ LYS 24 2HZ LYS 24 3.729 -3.552 -11.639 184 3HZ LYS 24 3HZ LYS 24 2.762 -3.749 -10.265 185 H LYS 25 H LYS 25 3.952 -3.339 -6.134 186 HA LYS 25 HA LYS 25 4.180 -1.916 -3.639 187 1HB LYS 25 2HB LYS 25 5.826 -3.557 -3.921 188 2HB LYS 25 1HB LYS 25 6.129 -3.101 -5.591 189 1HG LYS 25 2HG LYS 25 7.242 -1.086 -4.889 190 2HG LYS 25 1HG LYS 25 6.835 -1.411 -3.202 191 1HD LYS 25 2HD LYS 25 9.088 -2.086 -3.486 192 2HD LYS 25 1HD LYS 25 8.130 -3.567 -3.435 193 1HE LYS 25 2HE LYS 25 8.263 -3.834 -5.793 194 2HE LYS 25 1HE LYS 25 8.934 -2.217 -6.001 195 1HZ LYS 25 1HZ LYS 25 10.975 -2.983 -5.664 196 2HZ LYS 25 2HZ LYS 25 10.347 -4.552 -5.748 197 3HZ LYS 25 3HZ LYS 25 10.529 -3.794 -4.246 198 H VAL 26 H VAL 26 4.497 0.179 -3.344 199 HA VAL 26 HA VAL 26 4.535 1.935 -5.657 200 HB VAL 26 HB VAL 26 4.688 3.065 -2.924 201 1HG1 VAL 26 1HG1 VAL 26 3.437 3.684 -5.532 202 2HG1 VAL 26 2HG1 VAL 26 4.275 4.739 -4.394 203 3HG1 VAL 26 3HG1 VAL 26 2.606 4.258 -4.087 204 1HG2 VAL 26 1HG2 VAL 26 2.186 2.663 -2.672 205 2HG2 VAL 26 2HG2 VAL 26 3.252 1.298 -2.340 206 3HG2 VAL 26 3HG2 VAL 26 2.383 1.388 -3.872 207 H ASN 27 H ASN 27 6.662 0.659 -3.293 208 HA ASN 27 HA ASN 27 8.877 2.158 -4.433 209 1HB ASN 27 2HB ASN 27 9.049 1.978 -1.531 210 2HB ASN 27 1HB ASN 27 9.441 3.315 -2.599 211 1HD2 ASN 27 1HD2 ASN 27 6.772 1.629 -1.043 212 2HD2 ASN 27 2HD2 ASN 27 5.718 2.995 -0.962 213 H TRP 28 H TRP 28 9.402 0.716 -1.397 214 HA TRP 28 HA TRP 28 10.152 -1.861 -2.538 215 1HB TRP 28 2HB TRP 28 12.387 -1.692 -2.174 216 2HB TRP 28 1HB TRP 28 12.072 0.036 -2.325 217 HD1 TRP 28 HD1 TRP 28 10.980 0.786 0.464 218 HE1 TRP 28 HE1 TRP 28 12.447 0.612 2.572 219 HE3 TRP 28 HE3 TRP 28 14.452 -2.560 -1.236 220 HZ2 TRP 28 HZ2 TRP 28 14.769 -0.761 3.403 221 HZ3 TRP 28 HZ3 TRP 28 16.264 -3.252 0.278 222 HH2 TRP 28 HH2 TRP 28 16.418 -2.369 2.549 223 H TRP 29 H TRP 29 9.433 0.170 0.184 224 HA TRP 29 HA TRP 29 9.163 -2.219 1.888 225 1HB TRP 29 2HB TRP 29 9.890 -1.035 3.708 226 2HB TRP 29 1HB TRP 29 10.756 -0.157 2.452 227 HD1 TRP 29 HD1 TRP 29 7.714 0.180 4.773 228 HE1 TRP 29 HE1 TRP 29 7.095 2.671 4.948 229 HE3 TRP 29 HE3 TRP 29 10.928 2.064 1.271 230 HZ2 TRP 29 HZ2 TRP 29 7.864 5.112 3.758 231 HZ3 TRP 29 HZ3 TRP 29 10.922 4.487 0.849 232 HH2 TRP 29 HH2 TRP 29 9.421 5.979 2.067 233 H ASP 30 H ASP 30 7.533 0.374 0.371 234 HA ASP 30 HA ASP 30 5.115 -0.188 1.958 235 1HB ASP 30 2HB ASP 30 6.316 2.242 1.698 236 2HB ASP 30 1HB ASP 30 5.158 2.295 0.373 237 H HIS 31 H HIS 31 3.489 -1.123 0.928 238 HA HIS 31 HA HIS 31 3.497 -1.120 -2.010 239 1HB HIS 31 2HB HIS 31 2.694 -3.127 0.050 240 2HB HIS 31 1HB HIS 31 1.843 -3.120 -1.487 241 HD1 HIS 31 HD1 HIS 31 5.375 -3.425 -0.145 242 HD2 HIS 31 HD2 HIS 31 3.136 -4.439 -3.494 243 HE1 HIS 31 HE1 HIS 31 6.890 -4.849 -1.559 244 HE2 HIS 31 HE2 HIS 31 5.544 -5.375 -3.623 245 H LYS 32 H LYS 32 1.875 -0.110 -3.042 246 HA LYS 32 HA LYS 32 -0.712 0.198 -1.749 247 1HB LYS 32 2HB LYS 32 0.582 2.645 -2.913 248 2HB LYS 32 1HB LYS 32 -0.793 2.535 -1.822 249 1HG LYS 32 2HG LYS 32 0.833 1.662 -0.087 250 2HG LYS 32 1HG LYS 32 2.117 2.171 -1.184 251 1HD LYS 32 2HD LYS 32 0.174 4.270 -0.855 252 2HD LYS 32 1HD LYS 32 0.780 3.735 0.714 253 1HE LYS 32 2HE LYS 32 2.045 5.408 -1.199 254 2HE LYS 32 1HE LYS 32 2.641 4.895 0.379 255 1HZ LYS 32 1HZ LYS 32 3.232 3.814 -2.273 256 2HZ LYS 32 2HZ LYS 32 3.197 2.727 -0.977 257 3HZ LYS 32 3HZ LYS 32 4.257 4.044 -0.947 258 H CYS 33 H CYS 33 -1.349 2.329 -3.712 259 HA CYS 33 HA CYS 33 -1.758 0.590 -6.036 260 1HB CYS 33 2HB CYS 33 -3.303 2.838 -4.802 261 2HB CYS 33 1HB CYS 33 -3.545 2.435 -6.494 262 H ILE 34 H ILE 34 -1.158 1.238 -8.066 263 HA ILE 34 HA ILE 34 0.148 3.866 -8.299 264 HB ILE 34 HB ILE 34 1.452 2.375 -10.167 265 1HG1 ILE 34 2HG1 ILE 34 0.334 0.327 -9.196 266 2HG1 ILE 34 1HG1 ILE 34 2.093 0.266 -9.247 267 1HG2 ILE 34 1HG2 ILE 34 2.642 2.368 -7.460 268 2HG2 ILE 34 2HG2 ILE 34 2.137 3.930 -8.105 269 3HG2 ILE 34 3HG2 ILE 34 3.302 2.946 -8.990 270 1HD1 ILE 34 1HD1 ILE 34 0.266 0.464 -6.916 271 2HD1 ILE 34 2HD1 ILE 34 1.871 1.186 -6.801 272 3HD1 ILE 34 3HD1 ILE 34 1.701 -0.534 -7.152 273 H GLY 35 HN GLY 35 0.741 3.881 -10.951 274 1HA GLY 35 2HA GLY 35 -1.864 3.467 -12.273 275 2HA GLY 35 1HA GLY 35 -0.969 4.968 -12.457 Start of MODEL 16 1 HN PCA 1 HN PCA 1 -10.865 -7.482 -1.223 2 HA PCA 1 HA PCA 1 -12.507 -8.107 -3.115 3 1HB PCA 1 1HB PCA 1 -14.720 -6.944 -1.445 4 2HB PCA 1 2HB PCA 1 -14.723 -8.411 -2.469 5 1HG PCA 1 1HG PCA 1 -14.526 -8.449 0.321 6 2HG PCA 1 2HG PCA 1 -13.918 -9.756 -0.743 7 H GLN 2 H GLN 2 -14.032 -6.390 -4.196 8 HA GLN 2 HA GLN 2 -14.182 -4.353 -5.190 9 1HB GLN 2 2HB GLN 2 -15.086 -3.531 -3.153 10 2HB GLN 2 1HB GLN 2 -13.507 -3.509 -2.379 11 1HG GLN 2 2HG GLN 2 -12.833 -1.608 -3.525 12 2HG GLN 2 1HG GLN 2 -14.058 -1.810 -4.776 13 1HE2 GLN 2 1HE2 GLN 2 -15.401 -0.164 -4.675 14 2HE2 GLN 2 2HE2 GLN 2 -16.107 0.488 -3.240 15 H CYS 3 H CYS 3 -12.934 -2.276 -5.628 16 HA CYS 3 HA CYS 3 -10.318 -3.008 -6.509 17 1HB CYS 3 2HB CYS 3 -10.335 -1.030 -7.716 18 2HB CYS 3 1HB CYS 3 -12.056 -1.356 -7.576 19 H VAL 4 H VAL 4 -9.134 -0.418 -6.240 20 HA VAL 4 HA VAL 4 -8.774 0.125 -3.430 21 HB VAL 4 HB VAL 4 -6.367 -0.766 -5.015 22 1HG1 VAL 4 1HG1 VAL 4 -6.116 0.916 -3.142 23 2HG1 VAL 4 2HG1 VAL 4 -5.151 -0.554 -3.003 24 3HG1 VAL 4 3HG1 VAL 4 -6.622 -0.370 -2.047 25 1HG2 VAL 4 1HG2 VAL 4 -8.166 -2.543 -4.338 26 2HG2 VAL 4 2HG2 VAL 4 -7.466 -2.339 -2.732 27 3HG2 VAL 4 3HG2 VAL 4 -6.453 -2.866 -4.075 28 H LYS 5 H LYS 5 -8.398 2.233 -3.193 29 HA LYS 5 HA LYS 5 -8.120 3.875 -5.522 30 1HB LYS 5 2HB LYS 5 -9.198 4.204 -2.973 31 2HB LYS 5 1HB LYS 5 -7.830 5.303 -3.036 32 1HG LYS 5 2HG LYS 5 -10.326 5.300 -4.656 33 2HG LYS 5 1HG LYS 5 -9.527 6.632 -3.817 34 1HD LYS 5 2HD LYS 5 -7.824 6.760 -5.477 35 2HD LYS 5 1HD LYS 5 -8.355 5.252 -6.224 36 1HE LYS 5 2HE LYS 5 -9.435 6.620 -7.645 37 2HE LYS 5 1HE LYS 5 -10.631 6.708 -6.352 38 1HZ LYS 5 1HZ LYS 5 -10.281 8.906 -6.662 39 2HZ LYS 5 2HZ LYS 5 -8.703 8.707 -7.238 40 3HZ LYS 5 3HZ LYS 5 -9.013 8.633 -5.577 41 H LYS 6 H LYS 6 -6.532 5.535 -5.802 42 HA LYS 6 HA LYS 6 -3.884 4.623 -5.520 43 1HB LYS 6 2HB LYS 6 -4.058 6.078 -7.287 44 2HB LYS 6 1HB LYS 6 -5.191 7.130 -6.449 45 1HG LYS 6 2HG LYS 6 -3.568 8.490 -5.786 46 2HG LYS 6 1HG LYS 6 -2.590 7.148 -5.187 47 1HD LYS 6 2HD LYS 6 -1.694 6.751 -7.384 48 2HD LYS 6 1HD LYS 6 -2.783 7.947 -8.089 49 1HE LYS 6 2HE LYS 6 -0.980 8.828 -5.901 50 2HE LYS 6 1HE LYS 6 -0.262 8.511 -7.479 51 1HZ LYS 6 1HZ LYS 6 -2.542 10.007 -7.944 52 2HZ LYS 6 2HZ LYS 6 -0.936 10.516 -8.086 53 3HZ LYS 6 3HZ LYS 6 -1.769 10.746 -6.632 54 H ASP 7 H ASP 7 -2.217 5.282 -4.174 55 HA ASP 7 HA ASP 7 -1.195 6.270 -2.359 56 1HB ASP 7 2HB ASP 7 -3.894 7.568 -1.907 57 2HB ASP 7 1HB ASP 7 -2.452 7.891 -0.949 58 H GLU 8 H GLU 8 -3.910 4.305 -2.434 59 HA GLU 8 HA GLU 8 -3.887 3.689 0.409 60 1HB GLU 8 2HB GLU 8 -5.524 2.614 -1.892 61 2HB GLU 8 1HB GLU 8 -5.674 2.040 -0.236 62 1HG GLU 8 2HG GLU 8 -6.196 4.410 0.422 63 2HG GLU 8 1HG GLU 8 -6.293 4.780 -1.299 64 H LEU 9 H LEU 9 -3.044 1.866 1.301 65 HA LEU 9 HA LEU 9 -0.943 0.561 -0.014 66 1HB LEU 9 2HB LEU 9 -2.444 0.037 2.527 67 2HB LEU 9 1HB LEU 9 -1.198 -1.064 1.979 68 HG LEU 9 HG LEU 9 -0.902 1.328 3.475 69 1HD1 LEU 9 1HD1 LEU 9 1.584 0.232 2.552 70 2HD1 LEU 9 2HD1 LEU 9 0.457 -1.061 2.965 71 3HD1 LEU 9 3HD1 LEU 9 0.859 0.174 4.159 72 1HD2 LEU 9 1HD2 LEU 9 1.087 2.081 1.828 73 2HD2 LEU 9 2HD2 LEU 9 -0.512 2.827 1.832 74 3HD2 LEU 9 3HD2 LEU 9 -0.120 1.586 0.642 75 H CYS 10 H CYS 10 -0.949 -2.035 0.246 76 HA CYS 10 HA CYS 10 -3.192 -3.548 -0.286 77 1HB CYS 10 2HB CYS 10 -3.226 -1.953 -2.316 78 2HB CYS 10 1HB CYS 10 -1.853 -2.888 -2.896 79 H ILE 11 H ILE 11 -2.330 -5.388 -2.127 80 HA ILE 11 HA ILE 11 0.415 -6.056 -1.481 81 HB ILE 11 HB ILE 11 -1.570 -8.223 -1.048 82 1HG1 ILE 11 2HG1 ILE 11 -2.245 -6.105 0.267 83 2HG1 ILE 11 1HG1 ILE 11 -2.095 -7.618 1.154 84 1HG2 ILE 11 1HG2 ILE 11 1.238 -7.645 -0.468 85 2HG2 ILE 11 2HG2 ILE 11 0.426 -9.191 -0.710 86 3HG2 ILE 11 3HG2 ILE 11 0.369 -8.403 0.866 87 1HD1 ILE 11 1HD1 ILE 11 0.166 -6.931 1.862 88 2HD1 ILE 11 2HD1 ILE 11 -1.102 -5.837 2.417 89 3HD1 ILE 11 3HD1 ILE 11 -0.083 -5.385 1.049 90 HA PRO 12 HA PRO 12 -0.064 -7.115 -5.818 91 1HB PRO 12 2HB PRO 12 2.529 -8.021 -6.077 92 2HB PRO 12 1HB PRO 12 2.036 -6.332 -6.235 93 1HG PRO 12 2HG PRO 12 3.230 -7.746 -3.890 94 2HG PRO 12 1HG PRO 12 3.554 -6.113 -4.500 95 1HD PRO 12 2HD PRO 12 2.001 -6.536 -2.349 96 2HD PRO 12 1HD PRO 12 1.661 -5.229 -3.503 97 H TYR 13 H TYR 13 -0.530 -8.983 -3.421 98 HA TYR 13 HA TYR 13 -0.707 -11.389 -4.979 99 1HB TYR 13 2HB TYR 13 0.742 -11.890 -2.445 100 2HB TYR 13 1HB TYR 13 0.873 -12.707 -3.998 101 HD1 TYR 13 HD1 TYR 13 2.144 -10.009 -1.903 102 HD2 TYR 13 HD2 TYR 13 2.347 -11.818 -5.748 103 HE1 TYR 13 HE1 TYR 13 4.237 -8.799 -2.355 104 HE2 TYR 13 HE2 TYR 13 4.441 -10.614 -6.211 105 HH TYR 13 HH TYR 13 6.383 -9.540 -4.408 106 H TYR 14 H TYR 14 -2.451 -9.546 -3.538 107 HA TYR 14 HA TYR 14 -3.949 -11.529 -2.042 108 1HB TYR 14 2HB TYR 14 -2.441 -9.405 -0.747 109 2HB TYR 14 1HB TYR 14 -4.160 -9.306 -0.377 110 HD1 TYR 14 HD1 TYR 14 -1.286 -10.392 0.985 111 HD2 TYR 14 HD2 TYR 14 -5.087 -11.967 -0.099 112 HE1 TYR 14 HE1 TYR 14 -1.024 -12.167 2.666 113 HE2 TYR 14 HE2 TYR 14 -4.835 -13.746 1.579 114 HH TYR 14 HH TYR 14 -3.428 -13.945 3.854 115 H LEU 15 H LEU 15 -3.823 -8.036 -2.751 116 HA LEU 15 HA LEU 15 -6.611 -8.225 -3.676 117 1HB LEU 15 2HB LEU 15 -5.771 -5.590 -2.746 118 2HB LEU 15 1HB LEU 15 -7.256 -6.472 -2.443 119 HG LEU 15 HG LEU 15 -4.689 -7.129 -1.026 120 1HD1 LEU 15 1HD1 LEU 15 -5.232 -4.787 -0.610 121 2HD1 LEU 15 2HD1 LEU 15 -5.481 -5.775 0.829 122 3HD1 LEU 15 3HD1 LEU 15 -6.864 -5.250 -0.131 123 1HD2 LEU 15 1HD2 LEU 15 -7.466 -8.062 -0.951 124 2HD2 LEU 15 2HD2 LEU 15 -6.764 -7.716 0.629 125 3HD2 LEU 15 3HD2 LEU 15 -5.981 -8.870 -0.451 126 H ASP 16 H ASP 16 -7.100 -6.009 -4.912 127 HA ASP 16 HA ASP 16 -4.857 -5.335 -6.668 128 1HB ASP 16 2HB ASP 16 -6.964 -7.061 -7.430 129 2HB ASP 16 1HB ASP 16 -7.251 -5.527 -8.246 130 H CYS 17 H CYS 17 -5.172 -3.344 -7.860 131 HA CYS 17 HA CYS 17 -6.774 -1.458 -6.347 132 1HB CYS 17 2HB CYS 17 -4.768 -1.035 -8.568 133 2HB CYS 17 1HB CYS 17 -5.550 0.240 -7.653 134 H CYS 18 H CYS 18 -8.019 0.215 -7.503 135 HA CYS 18 HA CYS 18 -10.013 -0.893 -9.096 136 1HB CYS 18 2HB CYS 18 -9.478 2.022 -9.337 137 2HB CYS 18 1HB CYS 18 -10.996 1.171 -9.077 138 H GLU 19 H GLU 19 -8.275 1.881 -10.362 139 HA GLU 19 HA GLU 19 -6.750 0.959 -12.362 140 1HB GLU 19 2HB GLU 19 -8.483 -0.503 -13.160 141 2HB GLU 19 1HB GLU 19 -9.644 0.816 -13.207 142 1HG GLU 19 2HG GLU 19 -7.949 1.864 -14.890 143 2HG GLU 19 1HG GLU 19 -7.399 0.198 -15.065 144 HA PRO 20 HA PRO 20 -6.141 1.480 -14.481 145 1HB PRO 20 2HB PRO 20 -4.019 3.462 -14.752 146 2HB PRO 20 1HB PRO 20 -4.953 2.655 -16.011 147 1HG PRO 20 2HG PRO 20 -5.223 5.293 -15.450 148 2HG PRO 20 1HG PRO 20 -6.559 4.297 -16.058 149 1HD PRO 20 2HD PRO 20 -5.981 5.188 -13.256 150 2HD PRO 20 1HD PRO 20 -7.535 5.104 -14.114 151 H LEU 21 H LEU 21 -5.724 2.963 -11.552 152 HA LEU 21 HA LEU 21 -3.134 2.586 -10.750 153 1HB LEU 21 2HB LEU 21 -5.494 1.815 -9.045 154 2HB LEU 21 1HB LEU 21 -3.932 2.399 -8.506 155 HG LEU 21 HG LEU 21 -5.799 4.096 -10.149 156 1HD1 LEU 21 1HD1 LEU 21 -5.893 5.048 -7.562 157 2HD1 LEU 21 2HD1 LEU 21 -6.022 3.300 -7.367 158 3HD1 LEU 21 3HD1 LEU 21 -7.169 4.159 -8.396 159 1HD2 LEU 21 1HD2 LEU 21 -3.275 4.570 -9.850 160 2HD2 LEU 21 2HD2 LEU 21 -3.722 5.027 -8.206 161 3HD2 LEU 21 3HD2 LEU 21 -4.427 5.878 -9.580 162 H GLU 22 H GLU 22 -2.305 0.835 -9.244 163 HA GLU 22 HA GLU 22 -3.267 -1.835 -9.934 164 1HB GLU 22 2HB GLU 22 -1.551 -1.298 -11.613 165 2HB GLU 22 1HB GLU 22 -0.400 -0.958 -10.327 166 1HG GLU 22 2HG GLU 22 0.232 -3.076 -10.707 167 2HG GLU 22 1HG GLU 22 -1.123 -3.450 -9.642 168 H CYS 23 H CYS 23 -2.976 -3.332 -8.353 169 HA CYS 23 HA CYS 23 -2.149 -2.351 -5.763 170 1HB CYS 23 2HB CYS 23 -4.113 -3.708 -5.787 171 2HB CYS 23 1HB CYS 23 -3.310 -4.972 -6.712 172 H LYS 24 H LYS 24 0.108 -2.028 -6.219 173 HA LYS 24 HA LYS 24 1.660 -4.446 -5.755 174 1HB LYS 24 2HB LYS 24 3.292 -3.374 -7.591 175 2HB LYS 24 1HB LYS 24 2.085 -4.591 -7.980 176 1HG LYS 24 2HG LYS 24 1.213 -3.195 -9.456 177 2HG LYS 24 1HG LYS 24 0.775 -2.113 -8.132 178 1HD LYS 24 2HD LYS 24 2.049 -0.766 -9.550 179 2HD LYS 24 1HD LYS 24 3.196 -1.261 -8.304 180 1HE LYS 24 2HE LYS 24 4.366 -1.559 -10.302 181 2HE LYS 24 1HE LYS 24 3.801 -3.178 -9.892 182 1HZ LYS 24 1HZ LYS 24 2.328 -3.201 -11.606 183 2HZ LYS 24 2HZ LYS 24 3.500 -2.189 -12.289 184 3HZ LYS 24 3HZ LYS 24 2.101 -1.524 -11.607 185 H LYS 25 H LYS 25 4.178 -3.512 -5.983 186 HA LYS 25 HA LYS 25 4.534 -2.000 -3.642 187 1HB LYS 25 2HB LYS 25 6.267 -3.492 -4.422 188 2HB LYS 25 1HB LYS 25 6.440 -2.576 -5.914 189 1HG LYS 25 2HG LYS 25 7.797 -1.078 -4.970 190 2HG LYS 25 1HG LYS 25 6.804 -0.959 -3.515 191 1HD LYS 25 2HD LYS 25 9.032 -1.829 -3.005 192 2HD LYS 25 1HD LYS 25 7.782 -3.029 -2.668 193 1HE LYS 25 2HE LYS 25 8.295 -3.808 -5.112 194 2HE LYS 25 1HE LYS 25 9.821 -2.966 -4.848 195 1HZ LYS 25 1HZ LYS 25 10.006 -4.336 -2.754 196 2HZ LYS 25 2HZ LYS 25 10.187 -5.177 -4.210 197 3HZ LYS 25 3HZ LYS 25 8.733 -5.276 -3.353 198 H VAL 26 H VAL 26 4.405 0.088 -3.274 199 HA VAL 26 HA VAL 26 4.080 1.926 -5.503 200 HB VAL 26 HB VAL 26 3.704 2.201 -2.527 201 1HG1 VAL 26 1HG1 VAL 26 3.284 4.485 -2.704 202 2HG1 VAL 26 2HG1 VAL 26 3.168 4.424 -4.464 203 3HG1 VAL 26 3HG1 VAL 26 4.737 4.252 -3.676 204 1HG2 VAL 26 1HG2 VAL 26 1.427 3.037 -3.805 205 2HG2 VAL 26 2HG2 VAL 26 1.696 1.428 -3.133 206 3HG2 VAL 26 3HG2 VAL 26 1.996 1.731 -4.845 207 H ASN 27 H ASN 27 6.430 0.976 -3.181 208 HA ASN 27 HA ASN 27 8.304 2.936 -4.267 209 1HB ASN 27 2HB ASN 27 8.967 2.666 -1.549 210 2HB ASN 27 1HB ASN 27 8.375 4.104 -2.370 211 1HD2 ASN 27 1HD2 ASN 27 6.766 4.998 -1.324 212 2HD2 ASN 27 2HD2 ASN 27 5.505 4.168 -0.483 213 H TRP 28 H TRP 28 9.662 1.647 -1.593 214 HA TRP 28 HA TRP 28 10.718 -0.682 -3.042 215 1HB TRP 28 2HB TRP 28 12.887 -0.190 -2.422 216 2HB TRP 28 1HB TRP 28 12.230 1.433 -2.612 217 HD1 TRP 28 HD1 TRP 28 10.643 1.306 0.286 218 HE1 TRP 28 HE1 TRP 28 12.049 1.686 2.408 219 HE3 TRP 28 HE3 TRP 28 15.271 0.256 -1.610 220 HZ2 TRP 28 HZ2 TRP 28 14.763 1.559 3.175 221 HZ3 TRP 28 HZ3 TRP 28 17.221 0.408 -0.117 222 HH2 TRP 28 HH2 TRP 28 16.970 1.047 2.226 223 H TRP 29 H TRP 29 9.168 0.479 -0.277 224 HA TRP 29 HA TRP 29 9.441 -2.144 1.008 225 1HB TRP 29 2HB TRP 29 10.147 -1.334 3.016 226 2HB TRP 29 1HB TRP 29 10.813 -0.055 2.004 227 HD1 TRP 29 HD1 TRP 29 7.651 -0.745 4.134 228 HE1 TRP 29 HE1 TRP 29 6.806 1.505 5.054 229 HE3 TRP 29 HE3 TRP 29 10.946 2.379 1.788 230 HZ2 TRP 29 HZ2 TRP 29 7.451 4.244 4.814 231 HZ3 TRP 29 HZ3 TRP 29 10.765 4.799 2.185 232 HH2 TRP 29 HH2 TRP 29 9.053 5.711 3.667 233 H ASP 30 H ASP 30 7.582 0.704 0.327 234 HA ASP 30 HA ASP 30 5.274 -0.352 1.787 235 1HB ASP 30 2HB ASP 30 6.207 2.206 1.570 236 2HB ASP 30 1HB ASP 30 4.963 2.184 0.325 237 H HIS 31 H HIS 31 3.596 -1.274 0.793 238 HA HIS 31 HA HIS 31 3.553 -1.242 -2.146 239 1HB HIS 31 2HB HIS 31 2.980 -3.333 -0.112 240 2HB HIS 31 1HB HIS 31 1.999 -3.339 -1.570 241 HD1 HIS 31 HD1 HIS 31 5.707 -3.215 -0.712 242 HD2 HIS 31 HD2 HIS 31 3.118 -4.794 -3.554 243 HE1 HIS 31 HE1 HIS 31 7.152 -4.581 -2.253 244 HE2 HIS 31 HE2 HIS 31 5.550 -5.599 -3.910 245 H LYS 32 H LYS 32 1.947 -0.134 -3.060 246 HA LYS 32 HA LYS 32 -0.692 -0.124 -1.840 247 1HB LYS 32 2HB LYS 32 0.055 2.543 -2.774 248 2HB LYS 32 1HB LYS 32 -0.796 2.059 -1.313 249 1HG LYS 32 2HG LYS 32 1.463 1.383 -0.388 250 2HG LYS 32 1HG LYS 32 2.166 2.235 -1.765 251 1HD LYS 32 2HD LYS 32 0.896 4.266 -1.062 252 2HD LYS 32 1HD LYS 32 0.401 3.393 0.388 253 1HE LYS 32 2HE LYS 32 2.405 3.643 1.369 254 2HE LYS 32 1HE LYS 32 3.283 3.336 -0.129 255 1HZ LYS 32 1HZ LYS 32 3.770 5.510 0.076 256 2HZ LYS 32 2HZ LYS 32 2.417 5.855 1.031 257 3HZ LYS 32 3HZ LYS 32 2.257 5.729 -0.648 258 H CYS 33 H CYS 33 -1.449 2.116 -3.581 259 HA CYS 33 HA CYS 33 -1.696 0.599 -6.068 260 1HB CYS 33 2HB CYS 33 -3.329 2.734 -4.739 261 2HB CYS 33 1HB CYS 33 -3.534 2.376 -6.445 262 H ILE 34 H ILE 34 -0.544 1.220 -7.783 263 HA ILE 34 HA ILE 34 0.437 3.997 -7.873 264 HB ILE 34 HB ILE 34 2.093 2.736 -9.583 265 1HG1 ILE 34 2HG1 ILE 34 0.992 0.542 -8.967 266 2HG1 ILE 34 1HG1 ILE 34 2.742 0.587 -8.774 267 1HG2 ILE 34 1HG2 ILE 34 2.614 4.226 -7.635 268 2HG2 ILE 34 2HG2 ILE 34 3.769 2.922 -7.904 269 3HG2 ILE 34 3HG2 ILE 34 2.576 2.790 -6.613 270 1HD1 ILE 34 1HD1 ILE 34 0.677 0.101 -6.818 271 2HD1 ILE 34 2HD1 ILE 34 1.777 1.382 -6.309 272 3HD1 ILE 34 3HD1 ILE 34 2.411 -0.208 -6.734 273 H GLY 35 HN GLY 35 1.177 4.454 -10.302 274 1HA GLY 35 2HA GLY 35 -0.501 3.357 -12.344 275 2HA GLY 35 1HA GLY 35 -1.072 4.928 -11.804 Start of MODEL 17 1 HN PCA 1 HN PCA 1 -13.343 -9.250 -5.288 2 HA PCA 1 HA PCA 1 -14.046 -8.402 -3.035 3 1HB PCA 1 1HB PCA 1 -11.692 -7.330 -1.965 4 2HB PCA 1 2HB PCA 1 -12.295 -8.976 -1.609 5 1HG PCA 1 1HG PCA 1 -10.090 -8.117 -3.467 6 2HG PCA 1 2HG PCA 1 -10.314 -9.677 -2.616 7 H GLN 2 H GLN 2 -13.361 -5.997 -2.086 8 HA GLN 2 HA GLN 2 -14.229 -4.222 -4.097 9 1HB GLN 2 2HB GLN 2 -13.258 -2.547 -2.201 10 2HB GLN 2 1HB GLN 2 -14.835 -3.320 -2.116 11 1HG GLN 2 2HG GLN 2 -12.818 -5.063 -1.055 12 2HG GLN 2 1HG GLN 2 -12.743 -3.485 -0.272 13 1HE2 GLN 2 1HE2 GLN 2 -13.454 -5.795 1.081 14 2HE2 GLN 2 2HE2 GLN 2 -15.113 -5.685 1.550 15 H CYS 3 H CYS 3 -13.121 -2.319 -4.892 16 HA CYS 3 HA CYS 3 -10.543 -2.933 -5.929 17 1HB CYS 3 2HB CYS 3 -10.797 -1.070 -7.254 18 2HB CYS 3 1HB CYS 3 -12.482 -1.394 -6.875 19 H VAL 4 H VAL 4 -9.354 -0.390 -5.900 20 HA VAL 4 HA VAL 4 -8.855 0.368 -3.154 21 HB VAL 4 HB VAL 4 -6.533 -0.597 -4.818 22 1HG1 VAL 4 1HG1 VAL 4 -6.442 -0.227 -1.871 23 2HG1 VAL 4 2HG1 VAL 4 -6.414 1.206 -2.897 24 3HG1 VAL 4 3HG1 VAL 4 -5.169 -0.030 -3.077 25 1HG2 VAL 4 1HG2 VAL 4 -8.273 -2.341 -3.897 26 2HG2 VAL 4 2HG2 VAL 4 -7.434 -2.040 -2.376 27 3HG2 VAL 4 3HG2 VAL 4 -6.539 -2.638 -3.773 28 H LYS 5 H LYS 5 -8.552 2.488 -3.095 29 HA LYS 5 HA LYS 5 -8.315 3.958 -5.548 30 1HB LYS 5 2HB LYS 5 -9.374 4.437 -2.979 31 2HB LYS 5 1HB LYS 5 -8.111 5.627 -3.240 32 1HG LYS 5 2HG LYS 5 -9.173 6.427 -5.223 33 2HG LYS 5 1HG LYS 5 -10.344 5.107 -5.185 34 1HD LYS 5 2HD LYS 5 -10.776 6.164 -2.754 35 2HD LYS 5 1HD LYS 5 -10.244 7.610 -3.614 36 1HE LYS 5 2HE LYS 5 -12.798 6.690 -3.577 37 2HE LYS 5 1HE LYS 5 -12.123 7.720 -4.838 38 1HZ LYS 5 1HZ LYS 5 -11.565 5.700 -6.091 39 2HZ LYS 5 2HZ LYS 5 -13.228 5.843 -5.820 40 3HZ LYS 5 3HZ LYS 5 -12.313 4.756 -4.901 41 H LYS 6 H LYS 6 -6.677 5.445 -6.070 42 HA LYS 6 HA LYS 6 -4.060 4.625 -5.619 43 1HB LYS 6 2HB LYS 6 -4.907 6.123 -7.474 44 2HB LYS 6 1HB LYS 6 -4.879 7.446 -6.315 45 1HG LYS 6 2HG LYS 6 -2.375 5.943 -6.463 46 2HG LYS 6 1HG LYS 6 -2.827 6.752 -7.965 47 1HD LYS 6 2HD LYS 6 -3.288 8.524 -5.770 48 2HD LYS 6 1HD LYS 6 -1.648 7.880 -5.658 49 1HE LYS 6 2HE LYS 6 -1.402 8.479 -8.110 50 2HE LYS 6 1HE LYS 6 -2.908 9.380 -7.942 51 1HZ LYS 6 1HZ LYS 6 -0.506 10.438 -7.527 52 2HZ LYS 6 2HZ LYS 6 -0.868 9.938 -5.952 53 3HZ LYS 6 3HZ LYS 6 -1.909 10.996 -6.762 54 H ASP 7 H ASP 7 -2.433 5.274 -4.258 55 HA ASP 7 HA ASP 7 -1.413 6.516 -2.568 56 1HB ASP 7 2HB ASP 7 -2.904 8.424 -2.923 57 2HB ASP 7 1HB ASP 7 -4.194 7.597 -2.054 58 H GLU 8 H GLU 8 -4.054 4.403 -2.428 59 HA GLU 8 HA GLU 8 -3.788 3.867 0.420 60 1HB GLU 8 2HB GLU 8 -5.543 2.609 -1.698 61 2HB GLU 8 1HB GLU 8 -5.576 2.183 0.007 62 1HG GLU 8 2HG GLU 8 -6.215 4.495 0.549 63 2HG GLU 8 1HG GLU 8 -6.245 4.869 -1.173 64 H LEU 9 H LEU 9 -3.006 1.938 1.281 65 HA LEU 9 HA LEU 9 -0.825 0.779 0.000 66 1HB LEU 9 2HB LEU 9 -2.490 -0.088 2.345 67 2HB LEU 9 1HB LEU 9 -1.065 -0.967 1.829 68 HG LEU 9 HG LEU 9 -1.064 1.000 3.694 69 1HD1 LEU 9 1HD1 LEU 9 1.470 1.188 2.790 70 2HD1 LEU 9 2HD1 LEU 9 0.948 -0.293 1.985 71 3HD1 LEU 9 3HD1 LEU 9 0.859 -0.166 3.742 72 1HD2 LEU 9 1HD2 LEU 9 -1.206 3.000 2.725 73 2HD2 LEU 9 2HD2 LEU 9 -1.050 2.309 1.109 74 3HD2 LEU 9 3HD2 LEU 9 0.394 2.684 2.050 75 H CYS 10 H CYS 10 -0.791 -1.838 0.116 76 HA CYS 10 HA CYS 10 -2.852 -3.438 -0.660 77 1HB CYS 10 2HB CYS 10 -2.788 -1.543 -2.567 78 2HB CYS 10 1HB CYS 10 -1.620 -2.667 -3.250 79 H ILE 11 H ILE 11 -2.053 -5.324 -2.144 80 HA ILE 11 HA ILE 11 0.836 -5.685 -1.868 81 HB ILE 11 HB ILE 11 -0.879 -8.016 -1.209 82 1HG1 ILE 11 2HG1 ILE 11 -1.623 -5.887 0.105 83 2HG1 ILE 11 1HG1 ILE 11 -1.355 -7.391 0.978 84 1HG2 ILE 11 1HG2 ILE 11 1.704 -7.883 -1.429 85 2HG2 ILE 11 2HG2 ILE 11 0.996 -8.795 -0.097 86 3HG2 ILE 11 3HG2 ILE 11 1.629 -7.174 0.183 87 1HD1 ILE 11 1HD1 ILE 11 -0.276 -4.940 1.583 88 2HD1 ILE 11 2HD1 ILE 11 1.049 -5.781 0.779 89 3HD1 ILE 11 3HD1 ILE 11 0.277 -6.501 2.191 90 HA PRO 12 HA PRO 12 0.244 -7.094 -6.051 91 1HB PRO 12 2HB PRO 12 2.999 -8.102 -5.789 92 2HB PRO 12 1HB PRO 12 2.349 -6.894 -6.900 93 1HG PRO 12 2HG PRO 12 3.959 -6.214 -4.861 94 2HG PRO 12 1HG PRO 12 2.638 -5.163 -5.401 95 1HD PRO 12 2HD PRO 12 2.755 -6.998 -3.038 96 2HD PRO 12 1HD PRO 12 2.065 -5.366 -3.165 97 H TYR 13 H TYR 13 -0.255 -8.822 -3.585 98 HA TYR 13 HA TYR 13 -0.589 -11.284 -4.978 99 1HB TYR 13 2HB TYR 13 1.594 -11.069 -2.910 100 2HB TYR 13 1HB TYR 13 0.807 -12.602 -3.271 101 HD1 TYR 13 HD1 TYR 13 3.682 -10.929 -3.853 102 HD2 TYR 13 HD2 TYR 13 0.571 -12.805 -6.066 103 HE1 TYR 13 HE1 TYR 13 5.232 -11.270 -5.731 104 HE2 TYR 13 HE2 TYR 13 2.112 -13.152 -7.951 105 HH TYR 13 HH TYR 13 4.132 -12.481 -8.825 106 H TYR 14 H TYR 14 -1.813 -9.160 -3.120 107 HA TYR 14 HA TYR 14 -3.194 -11.091 -1.383 108 1HB TYR 14 2HB TYR 14 -1.752 -8.643 -0.627 109 2HB TYR 14 1HB TYR 14 -3.375 -8.763 0.045 110 HD1 TYR 14 HD1 TYR 14 -3.897 -11.245 0.997 111 HD2 TYR 14 HD2 TYR 14 -0.048 -9.461 0.680 112 HE1 TYR 14 HE1 TYR 14 -3.062 -12.748 2.755 113 HE2 TYR 14 HE2 TYR 14 0.799 -10.960 2.435 114 HH TYR 14 HH TYR 14 0.290 -12.540 3.913 115 H LEU 15 H LEU 15 -3.327 -7.913 -2.953 116 HA LEU 15 HA LEU 15 -6.160 -8.349 -3.488 117 1HB LEU 15 2HB LEU 15 -5.733 -5.602 -2.707 118 2HB LEU 15 1HB LEU 15 -6.955 -6.739 -2.171 119 HG LEU 15 HG LEU 15 -5.340 -7.668 -0.538 120 1HD1 LEU 15 1HD1 LEU 15 -3.532 -5.392 -0.653 121 2HD1 LEU 15 2HD1 LEU 15 -3.441 -6.419 -2.084 122 3HD1 LEU 15 3HD1 LEU 15 -3.181 -7.111 -0.482 123 1HD2 LEU 15 1HD2 LEU 15 -6.428 -4.950 -0.520 124 2HD2 LEU 15 2HD2 LEU 15 -5.132 -5.227 0.644 125 3HD2 LEU 15 3HD2 LEU 15 -6.573 -6.242 0.672 126 H ASP 16 H ASP 16 -6.780 -5.868 -4.511 127 HA ASP 16 HA ASP 16 -4.760 -5.153 -6.471 128 1HB ASP 16 2HB ASP 16 -6.523 -5.422 -8.321 129 2HB ASP 16 1HB ASP 16 -5.742 -6.885 -7.730 130 H CYS 17 H CYS 17 -5.276 -3.190 -7.627 131 HA CYS 17 HA CYS 17 -6.933 -1.420 -6.034 132 1HB CYS 17 2HB CYS 17 -5.080 -0.846 -8.355 133 2HB CYS 17 1HB CYS 17 -5.888 0.362 -7.372 134 H CYS 18 H CYS 18 -8.354 0.156 -7.139 135 HA CYS 18 HA CYS 18 -10.361 -1.071 -8.588 136 1HB CYS 18 2HB CYS 18 -9.933 1.835 -9.043 137 2HB CYS 18 1HB CYS 18 -11.405 0.961 -8.637 138 H GLU 19 H GLU 19 -8.813 1.676 -10.121 139 HA GLU 19 HA GLU 19 -7.392 0.568 -12.161 140 1HB GLU 19 2HB GLU 19 -10.091 -0.202 -12.428 141 2HB GLU 19 1HB GLU 19 -9.806 1.013 -13.666 142 1HG GLU 19 2HG GLU 19 -7.850 -0.290 -14.434 143 2HG GLU 19 1HG GLU 19 -8.260 -1.536 -13.255 144 HA PRO 20 HA PRO 20 -6.858 0.894 -14.095 145 1HB PRO 20 2HB PRO 20 -5.025 2.185 -15.548 146 2HB PRO 20 1HB PRO 20 -6.731 2.189 -16.013 147 1HG PRO 20 2HG PRO 20 -5.108 4.332 -14.739 148 2HG PRO 20 1HG PRO 20 -6.446 4.468 -15.892 149 1HD PRO 20 2HD PRO 20 -6.595 4.788 -13.095 150 2HD PRO 20 1HD PRO 20 -7.962 4.635 -14.213 151 H LEU 21 H LEU 21 -5.998 2.656 -11.560 152 HA LEU 21 HA LEU 21 -3.287 2.736 -11.263 153 1HB LEU 21 2HB LEU 21 -5.215 1.798 -9.141 154 2HB LEU 21 1HB LEU 21 -3.634 2.508 -8.875 155 HG LEU 21 HG LEU 21 -5.882 3.992 -10.224 156 1HD1 LEU 21 1HD1 LEU 21 -6.630 4.825 -8.229 157 2HD1 LEU 21 2HD1 LEU 21 -5.110 4.500 -7.395 158 3HD1 LEU 21 3HD1 LEU 21 -6.218 3.176 -7.757 159 1HD2 LEU 21 1HD2 LEU 21 -4.222 5.782 -8.973 160 2HD2 LEU 21 2HD2 LEU 21 -4.186 5.372 -10.687 161 3HD2 LEU 21 3HD2 LEU 21 -3.099 4.557 -9.563 162 H GLU 22 H GLU 22 -1.974 1.248 -9.756 163 HA GLU 22 HA GLU 22 -2.447 -1.565 -10.486 164 1HB GLU 22 2HB GLU 22 -0.594 -0.267 -11.776 165 2HB GLU 22 1HB GLU 22 0.326 -0.439 -10.287 166 1HG GLU 22 2HG GLU 22 0.924 -2.478 -10.884 167 2HG GLU 22 1HG GLU 22 -0.767 -2.972 -10.928 168 H CYS 23 H CYS 23 -3.020 -2.460 -8.597 169 HA CYS 23 HA CYS 23 -2.074 -1.616 -6.064 170 1HB CYS 23 2HB CYS 23 -4.124 -2.673 -5.926 171 2HB CYS 23 1HB CYS 23 -3.679 -3.921 -7.082 172 H LYS 24 H LYS 24 0.229 -1.626 -6.333 173 HA LYS 24 HA LYS 24 1.388 -4.202 -5.658 174 1HB LYS 24 2HB LYS 24 2.539 -4.562 -7.544 175 2HB LYS 24 1HB LYS 24 1.462 -3.389 -8.289 176 1HG LYS 24 2HG LYS 24 4.179 -2.845 -7.113 177 2HG LYS 24 1HG LYS 24 3.741 -2.850 -8.822 178 1HD LYS 24 2HD LYS 24 2.061 -1.018 -8.206 179 2HD LYS 24 1HD LYS 24 2.955 -0.886 -6.690 180 1HE LYS 24 2HE LYS 24 3.654 0.037 -9.368 181 2HE LYS 24 1HE LYS 24 4.248 0.570 -7.796 182 1HZ LYS 24 1HZ LYS 24 5.137 -2.009 -8.900 183 2HZ LYS 24 2HZ LYS 24 5.921 -0.990 -7.801 184 3HZ LYS 24 3HZ LYS 24 5.854 -0.573 -9.438 185 H LYS 25 H LYS 25 4.044 -3.573 -5.807 186 HA LYS 25 HA LYS 25 4.418 -1.988 -3.491 187 1HB LYS 25 2HB LYS 25 5.880 -3.895 -4.301 188 2HB LYS 25 1HB LYS 25 6.556 -2.768 -5.468 189 1HG LYS 25 2HG LYS 25 7.486 -1.415 -3.767 190 2HG LYS 25 1HG LYS 25 6.568 -2.248 -2.510 191 1HD LYS 25 2HD LYS 25 9.093 -2.815 -2.897 192 2HD LYS 25 1HD LYS 25 7.935 -4.100 -2.550 193 1HE LYS 25 2HE LYS 25 7.705 -4.450 -5.011 194 2HE LYS 25 1HE LYS 25 9.013 -3.292 -5.247 195 1HZ LYS 25 1HZ LYS 25 9.229 -6.013 -4.753 196 2HZ LYS 25 2HZ LYS 25 9.793 -5.238 -3.359 197 3HZ LYS 25 3HZ LYS 25 10.484 -4.882 -4.862 198 H VAL 26 H VAL 26 4.806 0.094 -3.225 199 HA VAL 26 HA VAL 26 4.849 1.830 -5.561 200 HB VAL 26 HB VAL 26 5.111 3.054 -2.896 201 1HG1 VAL 26 1HG1 VAL 26 4.534 4.075 -5.222 202 2HG1 VAL 26 2HG1 VAL 26 3.723 4.672 -3.773 203 3HG1 VAL 26 3HG1 VAL 26 2.898 3.537 -4.841 204 1HG2 VAL 26 1HG2 VAL 26 3.090 2.439 -1.966 205 2HG2 VAL 26 2HG2 VAL 26 3.644 0.915 -2.658 206 3HG2 VAL 26 3HG2 VAL 26 2.432 1.878 -3.502 207 H ASN 27 H ASN 27 6.945 0.535 -3.171 208 HA ASN 27 HA ASN 27 9.217 1.913 -4.361 209 1HB ASN 27 2HB ASN 27 9.423 1.759 -1.465 210 2HB ASN 27 1HB ASN 27 9.833 3.077 -2.549 211 1HD2 ASN 27 1HD2 ASN 27 6.943 1.393 -1.360 212 2HD2 ASN 27 2HD2 ASN 27 6.010 2.824 -1.102 213 H TRP 28 H TRP 28 9.730 0.494 -1.323 214 HA TRP 28 HA TRP 28 10.435 -2.095 -2.495 215 1HB TRP 28 2HB TRP 28 12.626 -2.017 -1.865 216 2HB TRP 28 1HB TRP 28 12.373 -0.283 -2.043 217 HD1 TRP 28 HD1 TRP 28 10.899 0.352 0.656 218 HE1 TRP 28 HE1 TRP 28 12.166 0.198 2.893 219 HE3 TRP 28 HE3 TRP 28 14.703 -2.747 -0.779 220 HZ2 TRP 28 HZ2 TRP 28 14.473 -1.071 3.912 221 HZ3 TRP 28 HZ3 TRP 28 16.398 -3.384 0.887 222 HH2 TRP 28 HH2 TRP 28 16.284 -2.562 3.183 223 H TRP 29 H TRP 29 9.094 -0.256 0.002 224 HA TRP 29 HA TRP 29 8.627 -2.686 1.585 225 1HB TRP 29 2HB TRP 29 9.302 -1.756 3.567 226 2HB TRP 29 1HB TRP 29 10.391 -0.899 2.480 227 HD1 TRP 29 HD1 TRP 29 7.535 -0.342 4.883 228 HE1 TRP 29 HE1 TRP 29 7.075 2.181 5.097 229 HE3 TRP 29 HE3 TRP 29 10.478 1.350 1.059 230 HZ2 TRP 29 HZ2 TRP 29 7.856 4.572 3.815 231 HZ3 TRP 29 HZ3 TRP 29 10.565 3.768 0.618 232 HH2 TRP 29 HH2 TRP 29 9.281 5.344 1.969 233 H ASP 30 H ASP 30 7.605 0.537 0.639 234 HA ASP 30 HA ASP 30 5.006 0.205 1.904 235 1HB ASP 30 2HB ASP 30 5.873 2.403 2.110 236 2HB ASP 30 1HB ASP 30 6.308 2.473 0.405 237 H HIS 31 H HIS 31 3.657 -1.120 0.850 238 HA HIS 31 HA HIS 31 3.545 -1.026 -2.073 239 1HB HIS 31 2HB HIS 31 2.718 -3.012 0.008 240 2HB HIS 31 1HB HIS 31 1.915 -3.029 -1.556 241 HD1 HIS 31 HD1 HIS 31 5.474 -3.123 -0.216 242 HD2 HIS 31 HD2 HIS 31 3.204 -4.548 -3.394 243 HE1 HIS 31 HE1 HIS 31 7.020 -4.603 -1.537 244 HE2 HIS 31 HE2 HIS 31 5.651 -5.384 -3.503 245 H LYS 32 H LYS 32 1.937 0.025 -3.081 246 HA LYS 32 HA LYS 32 -0.643 0.339 -1.771 247 1HB LYS 32 2HB LYS 32 1.265 2.539 -2.360 248 2HB LYS 32 1HB LYS 32 -0.437 2.836 -2.686 249 1HG LYS 32 2HG LYS 32 -1.024 2.481 -0.420 250 2HG LYS 32 1HG LYS 32 0.575 1.836 -0.039 251 1HD LYS 32 2HD LYS 32 -0.193 4.670 -0.680 252 2HD LYS 32 1HD LYS 32 0.558 4.043 0.789 253 1HE LYS 32 2HE LYS 32 2.590 4.342 -0.060 254 2HE LYS 32 1HE LYS 32 2.176 3.396 -1.489 255 1HZ LYS 32 1HZ LYS 32 1.207 5.394 -2.468 256 2HZ LYS 32 2HZ LYS 32 2.841 5.622 -2.102 257 3HZ LYS 32 3HZ LYS 32 1.650 6.294 -1.106 258 H CYS 33 H CYS 33 -1.406 2.392 -3.655 259 HA CYS 33 HA CYS 33 -1.832 0.704 -6.005 260 1HB CYS 33 2HB CYS 33 -3.312 2.986 -4.749 261 2HB CYS 33 1HB CYS 33 -3.588 2.581 -6.435 262 H ILE 34 H ILE 34 -1.227 1.349 -8.038 263 HA ILE 34 HA ILE 34 0.005 4.001 -8.315 264 HB ILE 34 HB ILE 34 1.513 2.457 -10.000 265 1HG1 ILE 34 2HG1 ILE 34 0.532 0.417 -8.943 266 2HG1 ILE 34 1HG1 ILE 34 2.282 0.522 -8.783 267 1HG2 ILE 34 1HG2 ILE 34 3.157 2.608 -7.903 268 2HG2 ILE 34 2HG2 ILE 34 1.895 3.705 -7.344 269 3HG2 ILE 34 3HG2 ILE 34 2.718 4.015 -8.872 270 1HD1 ILE 34 1HD1 ILE 34 1.125 -0.250 -6.740 271 2HD1 ILE 34 2HD1 ILE 34 0.332 1.321 -6.638 272 3HD1 ILE 34 3HD1 ILE 34 2.086 1.208 -6.498 273 H GLY 35 HN GLY 35 0.864 2.681 -11.037 274 1HA GLY 35 2HA GLY 35 -1.094 1.969 -12.706 275 2HA GLY 35 1HA GLY 35 -1.470 3.669 -12.464 Start of MODEL 18 1 HN PCA 1 HN PCA 1 -13.177 -7.906 -1.018 2 HA PCA 1 HA PCA 1 -11.047 -7.975 -2.277 3 1HB PCA 1 1HB PCA 1 -11.772 -8.865 -4.838 4 2HB PCA 1 2HB PCA 1 -11.158 -9.928 -3.536 5 1HG PCA 1 1HG PCA 1 -13.977 -9.536 -4.499 6 2HG PCA 1 2HG PCA 1 -13.247 -10.946 -3.673 7 H GLN 2 H GLN 2 -12.655 -5.820 -1.785 8 HA GLN 2 HA GLN 2 -13.626 -4.470 -4.060 9 1HB GLN 2 2HB GLN 2 -12.564 -2.995 -1.678 10 2HB GLN 2 1HB GLN 2 -13.982 -2.647 -2.658 11 1HG GLN 2 2HG GLN 2 -15.226 -4.378 -1.644 12 2HG GLN 2 1HG GLN 2 -13.790 -5.057 -0.879 13 1HE2 GLN 2 1HE2 GLN 2 -16.299 -4.186 0.315 14 2HE2 GLN 2 2HE2 GLN 2 -15.884 -2.978 1.479 15 H CYS 3 H CYS 3 -12.744 -2.615 -5.131 16 HA CYS 3 HA CYS 3 -10.179 -2.943 -6.127 17 1HB CYS 3 2HB CYS 3 -10.530 -1.015 -7.342 18 2HB CYS 3 1HB CYS 3 -12.190 -1.417 -6.925 19 H VAL 4 H VAL 4 -9.036 -0.390 -6.029 20 HA VAL 4 HA VAL 4 -8.471 0.320 -3.297 21 HB VAL 4 HB VAL 4 -6.154 -0.660 -4.952 22 1HG1 VAL 4 1HG1 VAL 4 -4.918 -0.514 -2.887 23 2HG1 VAL 4 2HG1 VAL 4 -6.381 -0.081 -2.002 24 3HG1 VAL 4 3HG1 VAL 4 -5.713 1.029 -3.198 25 1HG2 VAL 4 1HG2 VAL 4 -6.374 -2.764 -4.209 26 2HG2 VAL 4 2HG2 VAL 4 -8.060 -2.322 -3.941 27 3HG2 VAL 4 3HG2 VAL 4 -6.906 -2.245 -2.609 28 H LYS 5 H LYS 5 -8.132 2.429 -3.241 29 HA LYS 5 HA LYS 5 -7.879 3.898 -5.693 30 1HB LYS 5 2HB LYS 5 -8.957 4.398 -3.156 31 2HB LYS 5 1HB LYS 5 -7.629 5.531 -3.345 32 1HG LYS 5 2HG LYS 5 -9.361 5.322 -5.689 33 2HG LYS 5 1HG LYS 5 -10.162 5.931 -4.239 34 1HD LYS 5 2HD LYS 5 -7.581 7.024 -5.354 35 2HD LYS 5 1HD LYS 5 -9.175 7.716 -5.663 36 1HE LYS 5 2HE LYS 5 -8.863 7.343 -2.854 37 2HE LYS 5 1HE LYS 5 -7.445 8.189 -3.471 38 1HZ LYS 5 1HZ LYS 5 -8.842 9.865 -4.416 39 2HZ LYS 5 2HZ LYS 5 -9.274 9.679 -2.792 40 3HZ LYS 5 3HZ LYS 5 -10.246 9.015 -4.006 41 H LYS 6 H LYS 6 -6.279 5.552 -6.067 42 HA LYS 6 HA LYS 6 -3.643 4.650 -5.745 43 1HB LYS 6 2HB LYS 6 -4.057 6.051 -7.593 44 2HB LYS 6 1HB LYS 6 -4.829 7.279 -6.598 45 1HG LYS 6 2HG LYS 6 -2.876 8.250 -6.046 46 2HG LYS 6 1HG LYS 6 -2.012 6.714 -5.963 47 1HD LYS 6 2HD LYS 6 -1.746 6.636 -8.321 48 2HD LYS 6 1HD LYS 6 -2.884 7.964 -8.559 49 1HE LYS 6 2HE LYS 6 -0.713 8.871 -8.848 50 2HE LYS 6 1HE LYS 6 -1.282 9.419 -7.273 51 1HZ LYS 6 1HZ LYS 6 0.276 8.227 -6.198 52 2HZ LYS 6 2HZ LYS 6 1.103 8.322 -7.671 53 3HZ LYS 6 3HZ LYS 6 0.219 6.933 -7.287 54 H ASP 7 H ASP 7 -2.008 5.197 -4.361 55 HA ASP 7 HA ASP 7 -0.929 6.283 -2.627 56 1HB ASP 7 2HB ASP 7 -2.659 8.198 -3.183 57 2HB ASP 7 1HB ASP 7 -3.436 7.626 -1.709 58 H GLU 8 H GLU 8 -3.711 4.396 -2.541 59 HA GLU 8 HA GLU 8 -3.634 3.941 0.332 60 1HB GLU 8 2HB GLU 8 -5.432 3.089 -1.903 61 2HB GLU 8 1HB GLU 8 -5.413 2.147 -0.417 62 1HG GLU 8 2HG GLU 8 -5.611 4.849 0.342 63 2HG GLU 8 1HG GLU 8 -6.748 4.603 -0.982 64 H LEU 9 H LEU 9 -3.000 2.022 1.296 65 HA LEU 9 HA LEU 9 -0.874 0.646 0.098 66 1HB LEU 9 2HB LEU 9 -2.543 0.147 2.540 67 2HB LEU 9 1HB LEU 9 -1.269 -0.959 2.066 68 HG LEU 9 HG LEU 9 -0.991 1.247 3.698 69 1HD1 LEU 9 1HD1 LEU 9 0.605 -0.335 4.008 70 2HD1 LEU 9 2HD1 LEU 9 1.542 0.803 3.042 71 3HD1 LEU 9 3HD1 LEU 9 0.823 -0.615 2.280 72 1HD2 LEU 9 1HD2 LEU 9 0.655 2.017 1.373 73 2HD2 LEU 9 2HD2 LEU 9 -0.090 3.016 2.620 74 3HD2 LEU 9 3HD2 LEU 9 -1.061 2.409 1.280 75 H CYS 10 H CYS 10 -0.890 -1.888 0.205 76 HA CYS 10 HA CYS 10 -3.211 -3.315 -0.474 77 1HB CYS 10 2HB CYS 10 -2.636 -1.725 -2.543 78 2HB CYS 10 1HB CYS 10 -1.531 -3.042 -2.918 79 H ILE 11 H ILE 11 -2.440 -5.422 -1.797 80 HA ILE 11 HA ILE 11 0.257 -6.176 -1.011 81 HB ILE 11 HB ILE 11 -1.915 -8.073 -0.276 82 1HG1 ILE 11 2HG1 ILE 11 -1.086 -5.647 1.314 83 2HG1 ILE 11 1HG1 ILE 11 -2.713 -6.120 0.833 84 1HG2 ILE 11 1HG2 ILE 11 0.920 -7.545 0.496 85 2HG2 ILE 11 2HG2 ILE 11 0.161 -9.049 -0.023 86 3HG2 ILE 11 3HG2 ILE 11 -0.138 -8.426 1.599 87 1HD1 ILE 11 1HD1 ILE 11 -2.104 -6.477 3.250 88 2HD1 ILE 11 2HD1 ILE 11 -1.033 -7.764 2.698 89 3HD1 ILE 11 3HD1 ILE 11 -2.769 -7.873 2.402 90 HA PRO 12 HA PRO 12 -0.143 -7.748 -5.210 91 1HB PRO 12 2HB PRO 12 2.374 -9.063 -4.289 92 2HB PRO 12 1HB PRO 12 2.047 -8.187 -5.788 93 1HG PRO 12 2HG PRO 12 3.441 -7.049 -3.826 94 2HG PRO 12 1HG PRO 12 2.279 -6.111 -4.782 95 1HD PRO 12 2HD PRO 12 2.049 -7.145 -1.999 96 2HD PRO 12 1HD PRO 12 1.384 -5.663 -2.713 97 H TYR 13 H TYR 13 -0.302 -9.856 -6.196 98 HA TYR 13 HA TYR 13 -1.132 -11.975 -6.297 99 1HB TYR 13 2HB TYR 13 0.186 -12.660 -3.704 100 2HB TYR 13 1HB TYR 13 0.088 -13.598 -5.190 101 HD1 TYR 13 HD1 TYR 13 1.197 -11.958 -7.238 102 HD2 TYR 13 HD2 TYR 13 2.383 -12.253 -3.163 103 HE1 TYR 13 HE1 TYR 13 3.462 -11.220 -7.850 104 HE2 TYR 13 HE2 TYR 13 4.650 -11.516 -3.762 105 HH TYR 13 HH TYR 13 6.103 -11.551 -5.864 106 H TYR 14 H TYR 14 -2.005 -9.878 -3.930 107 HA TYR 14 HA TYR 14 -4.022 -11.725 -2.837 108 1HB TYR 14 2HB TYR 14 -2.362 -9.636 -1.583 109 2HB TYR 14 1HB TYR 14 -4.052 -9.643 -1.090 110 HD1 TYR 14 HD1 TYR 14 -4.290 -12.746 -1.503 111 HD2 TYR 14 HD2 TYR 14 -1.580 -10.255 0.630 112 HE1 TYR 14 HE1 TYR 14 -3.825 -14.594 0.052 113 HE2 TYR 14 HE2 TYR 14 -1.107 -12.094 2.189 114 HH TYR 14 HH TYR 14 -1.468 -14.230 2.684 115 H LEU 15 H LEU 15 -4.034 -8.237 -2.492 116 HA LEU 15 HA LEU 15 -6.634 -8.172 -3.829 117 1HB LEU 15 2HB LEU 15 -5.751 -5.666 -2.661 118 2HB LEU 15 1HB LEU 15 -7.217 -6.584 -2.370 119 HG LEU 15 HG LEU 15 -5.837 -8.075 -0.855 120 1HD1 LEU 15 1HD1 LEU 15 -3.904 -5.851 -0.561 121 2HD1 LEU 15 2HD1 LEU 15 -3.689 -6.938 -1.934 122 3HD1 LEU 15 3HD1 LEU 15 -3.695 -7.582 -0.292 123 1HD2 LEU 15 1HD2 LEU 15 -6.771 -6.888 0.770 124 2HD2 LEU 15 2HD2 LEU 15 -7.105 -5.618 -0.408 125 3HD2 LEU 15 3HD2 LEU 15 -5.616 -5.576 0.537 126 H ASP 16 H ASP 16 -7.128 -6.169 -5.107 127 HA ASP 16 HA ASP 16 -4.797 -5.242 -6.641 128 1HB ASP 16 2HB ASP 16 -6.990 -6.862 -7.590 129 2HB ASP 16 1HB ASP 16 -6.973 -5.313 -8.427 130 H CYS 17 H CYS 17 -5.282 -3.244 -7.915 131 HA CYS 17 HA CYS 17 -6.821 -1.432 -6.256 132 1HB CYS 17 2HB CYS 17 -5.018 -0.888 -8.621 133 2HB CYS 17 1HB CYS 17 -5.741 0.327 -7.583 134 H CYS 18 H CYS 18 -8.216 0.203 -7.272 135 HA CYS 18 HA CYS 18 -10.296 -0.932 -8.707 136 1HB CYS 18 2HB CYS 18 -9.844 1.986 -9.035 137 2HB CYS 18 1HB CYS 18 -11.311 1.108 -8.612 138 H GLU 19 H GLU 19 -8.634 1.832 -10.114 139 HA GLU 19 HA GLU 19 -7.352 0.775 -12.266 140 1HB GLU 19 2HB GLU 19 -9.328 -0.397 -12.960 141 2HB GLU 19 1HB GLU 19 -10.306 1.058 -12.824 142 1HG GLU 19 2HG GLU 19 -9.688 1.822 -14.839 143 2HG GLU 19 1HG GLU 19 -8.026 1.261 -14.660 144 HA PRO 20 HA PRO 20 -6.744 1.215 -14.155 145 1HB PRO 20 2HB PRO 20 -4.757 2.485 -15.397 146 2HB PRO 20 1HB PRO 20 -6.431 2.677 -15.934 147 1HG PRO 20 2HG PRO 20 -4.735 4.525 -14.309 148 2HG PRO 20 1HG PRO 20 -5.906 4.905 -15.584 149 1HD PRO 20 2HD PRO 20 -6.397 5.040 -12.846 150 2HD PRO 20 1HD PRO 20 -7.639 4.963 -14.109 151 H LEU 21 H LEU 21 -5.846 2.811 -11.473 152 HA LEU 21 HA LEU 21 -3.161 2.601 -11.067 153 1HB LEU 21 2HB LEU 21 -5.181 1.723 -9.014 154 2HB LEU 21 1HB LEU 21 -3.599 2.421 -8.725 155 HG LEU 21 HG LEU 21 -5.813 3.939 -10.092 156 1HD1 LEU 21 1HD1 LEU 21 -6.616 3.316 -7.898 157 2HD1 LEU 21 2HD1 LEU 21 -6.199 5.030 -7.920 158 3HD1 LEU 21 3HD1 LEU 21 -5.111 3.867 -7.162 159 1HD2 LEU 21 1HD2 LEU 21 -4.127 5.346 -10.470 160 2HD2 LEU 21 2HD2 LEU 21 -3.042 4.457 -9.403 161 3HD2 LEU 21 3HD2 LEU 21 -4.137 5.666 -8.735 162 H GLU 22 H GLU 22 -1.988 0.970 -9.678 163 HA GLU 22 HA GLU 22 -2.765 -1.785 -10.359 164 1HB GLU 22 2HB GLU 22 -0.866 -0.670 -11.779 165 2HB GLU 22 1HB GLU 22 0.118 -0.969 -10.354 166 1HG GLU 22 2HG GLU 22 -0.103 -3.286 -10.543 167 2HG GLU 22 1HG GLU 22 -1.476 -3.153 -11.641 168 H CYS 23 H CYS 23 -3.096 -2.842 -8.521 169 HA CYS 23 HA CYS 23 -2.135 -1.960 -6.004 170 1HB CYS 23 2HB CYS 23 -4.158 -3.141 -5.931 171 2HB CYS 23 1HB CYS 23 -3.544 -4.439 -6.949 172 H LYS 24 H LYS 24 0.139 -1.829 -6.278 173 HA LYS 24 HA LYS 24 1.478 -4.327 -5.662 174 1HB LYS 24 2HB LYS 24 3.295 -3.504 -7.433 175 2HB LYS 24 1HB LYS 24 1.990 -4.598 -7.866 176 1HG LYS 24 2HG LYS 24 1.206 -3.157 -9.351 177 2HG LYS 24 1HG LYS 24 1.106 -1.886 -8.131 178 1HD LYS 24 2HD LYS 24 2.553 -1.294 -10.060 179 2HD LYS 24 1HD LYS 24 3.401 -1.268 -8.513 180 1HE LYS 24 2HE LYS 24 4.666 -3.101 -9.018 181 2HE LYS 24 1HE LYS 24 3.436 -3.794 -10.074 182 1HZ LYS 24 1HZ LYS 24 5.682 -2.285 -10.787 183 2HZ LYS 24 2HZ LYS 24 4.309 -1.391 -11.207 184 3HZ LYS 24 3HZ LYS 24 4.509 -2.960 -11.803 185 H LYS 25 H LYS 25 4.105 -3.390 -5.994 186 HA LYS 25 HA LYS 25 4.429 -1.877 -3.613 187 1HB LYS 25 2HB LYS 25 6.036 -3.567 -4.870 188 2HB LYS 25 1HB LYS 25 6.632 -2.090 -5.614 189 1HG LYS 25 2HG LYS 25 7.500 -1.285 -3.653 190 2HG LYS 25 1HG LYS 25 6.372 -2.201 -2.651 191 1HD LYS 25 2HD LYS 25 7.560 -4.282 -3.340 192 2HD LYS 25 1HD LYS 25 8.750 -3.274 -4.166 193 1HE LYS 25 2HE LYS 25 8.750 -2.111 -1.739 194 2HE LYS 25 1HE LYS 25 8.341 -3.764 -1.283 195 1HZ LYS 25 1HZ LYS 25 10.845 -2.693 -2.105 196 2HZ LYS 25 2HZ LYS 25 10.400 -4.000 -3.084 197 3HZ LYS 25 3HZ LYS 25 10.499 -4.196 -1.407 198 H VAL 26 H VAL 26 4.541 0.236 -3.294 199 HA VAL 26 HA VAL 26 4.242 2.019 -5.571 200 HB VAL 26 HB VAL 26 4.475 3.157 -2.855 201 1HG1 VAL 26 1HG1 VAL 26 3.546 4.003 -5.291 202 2HG1 VAL 26 2HG1 VAL 26 3.217 4.778 -3.741 203 3HG1 VAL 26 3HG1 VAL 26 2.059 3.633 -4.419 204 1HG2 VAL 26 1HG2 VAL 26 2.403 1.121 -3.570 205 2HG2 VAL 26 2HG2 VAL 26 2.009 2.450 -2.477 206 3HG2 VAL 26 3HG2 VAL 26 3.303 1.323 -2.066 207 H ASN 27 H ASN 27 6.627 0.939 -3.359 208 HA ASN 27 HA ASN 27 8.631 2.605 -4.636 209 1HB ASN 27 2HB ASN 27 9.157 2.594 -1.825 210 2HB ASN 27 1HB ASN 27 8.991 3.966 -2.911 211 1HD2 ASN 27 1HD2 ASN 27 6.622 1.529 -1.960 212 2HD2 ASN 27 2HD2 ASN 27 5.501 2.639 -1.253 213 H TRP 28 H TRP 28 9.582 1.432 -1.644 214 HA TRP 28 HA TRP 28 10.417 -1.171 -2.680 215 1HB TRP 28 2HB TRP 28 12.656 -0.803 -2.494 216 2HB TRP 28 1HB TRP 28 12.180 0.872 -2.758 217 HD1 TRP 28 HD1 TRP 28 11.217 1.756 0.048 218 HE1 TRP 28 HE1 TRP 28 12.845 1.902 2.034 219 HE3 TRP 28 HE3 TRP 28 14.854 -1.403 -1.654 220 HZ2 TRP 28 HZ2 TRP 28 15.340 0.818 2.782 221 HZ3 TRP 28 HZ3 TRP 28 16.830 -1.796 -0.241 222 HH2 TRP 28 HH2 TRP 28 17.067 -0.707 1.931 223 H TRP 29 H TRP 29 8.975 0.588 -0.321 224 HA TRP 29 HA TRP 29 9.305 -1.571 1.621 225 1HB TRP 29 2HB TRP 29 9.996 -0.236 3.373 226 2HB TRP 29 1HB TRP 29 10.831 0.529 2.025 227 HD1 TRP 29 HD1 TRP 29 8.326 1.218 4.724 228 HE1 TRP 29 HE1 TRP 29 7.517 3.656 4.564 229 HE3 TRP 29 HE3 TRP 29 10.301 2.432 0.168 230 HZ2 TRP 29 HZ2 TRP 29 7.695 5.809 2.747 231 HZ3 TRP 29 HZ3 TRP 29 9.936 4.701 -0.709 232 HH2 TRP 29 HH2 TRP 29 8.659 6.354 0.554 233 H ASP 30 H ASP 30 7.397 0.824 0.106 234 HA ASP 30 HA ASP 30 5.138 0.171 1.885 235 1HB ASP 30 2HB ASP 30 5.798 2.546 2.007 236 2HB ASP 30 1HB ASP 30 5.545 2.697 0.271 237 H HIS 31 H HIS 31 3.723 -1.140 0.962 238 HA HIS 31 HA HIS 31 3.511 -1.234 -1.949 239 1HB HIS 31 2HB HIS 31 2.764 -3.078 0.289 240 2HB HIS 31 1HB HIS 31 1.946 -3.228 -1.258 241 HD1 HIS 31 HD1 HIS 31 5.583 -2.951 -0.143 242 HD2 HIS 31 HD2 HIS 31 3.182 -5.055 -2.804 243 HE1 HIS 31 HE1 HIS 31 7.126 -4.548 -1.322 244 HE2 HIS 31 HE2 HIS 31 5.657 -5.793 -2.949 245 H LYS 32 H LYS 32 1.936 -0.142 -2.942 246 HA LYS 32 HA LYS 32 -0.688 0.058 -1.707 247 1HB LYS 32 2HB LYS 32 0.682 2.544 -2.723 248 2HB LYS 32 1HB LYS 32 -0.843 2.428 -1.853 249 1HG LYS 32 2HG LYS 32 0.381 1.655 0.138 250 2HG LYS 32 1HG LYS 32 1.898 1.861 -0.741 251 1HD LYS 32 2HD LYS 32 0.056 4.181 -0.670 252 2HD LYS 32 1HD LYS 32 0.867 3.756 0.839 253 1HE LYS 32 2HE LYS 32 2.985 3.647 -0.725 254 2HE LYS 32 1HE LYS 32 2.017 4.722 -1.734 255 1HZ LYS 32 1HZ LYS 32 2.769 6.350 -0.448 256 2HZ LYS 32 2HZ LYS 32 3.399 5.280 0.702 257 3HZ LYS 32 3HZ LYS 32 1.776 5.751 0.785 258 H CYS 33 H CYS 33 -1.319 2.229 -3.634 259 HA CYS 33 HA CYS 33 -1.653 0.530 -5.998 260 1HB CYS 33 2HB CYS 33 -3.256 2.725 -4.754 261 2HB CYS 33 1HB CYS 33 -3.442 2.380 -6.466 262 H ILE 34 H ILE 34 -0.885 1.142 -7.947 263 HA ILE 34 HA ILE 34 0.368 3.803 -8.139 264 HB ILE 34 HB ILE 34 1.698 2.360 -10.017 265 1HG1 ILE 34 2HG1 ILE 34 0.578 0.274 -9.217 266 2HG1 ILE 34 1HG1 ILE 34 2.335 0.219 -9.102 267 1HG2 ILE 34 1HG2 ILE 34 3.560 2.738 -8.728 268 2HG2 ILE 34 2HG2 ILE 34 2.740 2.311 -7.226 269 3HG2 ILE 34 3HG2 ILE 34 2.416 3.864 -7.996 270 1HD1 ILE 34 1HD1 ILE 34 2.187 0.714 -6.714 271 2HD1 ILE 34 2HD1 ILE 34 1.302 -0.751 -7.140 272 3HD1 ILE 34 3HD1 ILE 34 0.429 0.751 -6.837 273 H GLY 35 HN GLY 35 1.059 3.212 -10.954 274 1HA GLY 35 2HA GLY 35 -1.451 2.862 -12.334 275 2HA GLY 35 1HA GLY 35 -0.878 4.524 -12.323 Start of MODEL 19 1 HN PCA 1 HN PCA 1 -14.756 -8.509 -6.798 2 HA PCA 1 HA PCA 1 -14.679 -8.087 -4.312 3 1HB PCA 1 1HB PCA 1 -11.891 -7.705 -3.902 4 2HB PCA 1 2HB PCA 1 -12.816 -9.170 -3.460 5 1HG PCA 1 1HG PCA 1 -11.034 -8.690 -5.826 6 2HG PCA 1 2HG PCA 1 -11.498 -10.236 -5.049 7 H GLN 2 H GLN 2 -13.590 -6.073 -3.191 8 HA GLN 2 HA GLN 2 -14.207 -3.837 -4.851 9 1HB GLN 2 2HB GLN 2 -12.983 -2.859 -2.540 10 2HB GLN 2 1HB GLN 2 -14.708 -3.042 -2.826 11 1HG GLN 2 2HG GLN 2 -14.712 -5.204 -1.801 12 2HG GLN 2 1HG GLN 2 -12.953 -5.194 -1.671 13 1HE2 GLN 2 1HE2 GLN 2 -12.665 -2.514 -0.834 14 2HE2 GLN 2 2HE2 GLN 2 -13.270 -2.391 0.779 15 H CYS 3 H CYS 3 -12.827 -2.041 -5.311 16 HA CYS 3 HA CYS 3 -10.207 -2.854 -6.178 17 1HB CYS 3 2HB CYS 3 -10.185 -0.915 -7.437 18 2HB CYS 3 1HB CYS 3 -11.914 -1.199 -7.314 19 H VAL 4 H VAL 4 -9.094 -0.185 -5.901 20 HA VAL 4 HA VAL 4 -8.802 0.376 -3.098 21 HB VAL 4 HB VAL 4 -6.331 -0.524 -4.570 22 1HG1 VAL 4 1HG1 VAL 4 -6.851 0.104 -1.667 23 2HG1 VAL 4 2HG1 VAL 4 -5.943 1.099 -2.807 24 3HG1 VAL 4 3HG1 VAL 4 -5.326 -0.483 -2.330 25 1HG2 VAL 4 1HG2 VAL 4 -7.073 -2.208 -2.355 26 2HG2 VAL 4 2HG2 VAL 4 -6.703 -2.647 -4.023 27 3HG2 VAL 4 3HG2 VAL 4 -8.344 -2.180 -3.578 28 H LYS 5 H LYS 5 -8.495 2.486 -2.910 29 HA LYS 5 HA LYS 5 -8.175 4.122 -5.208 30 1HB LYS 5 2HB LYS 5 -9.129 4.482 -2.622 31 2HB LYS 5 1HB LYS 5 -7.701 5.500 -2.711 32 1HG LYS 5 2HG LYS 5 -10.210 5.646 -4.328 33 2HG LYS 5 1HG LYS 5 -9.424 6.906 -3.372 34 1HD LYS 5 2HD LYS 5 -7.627 5.964 -5.398 35 2HD LYS 5 1HD LYS 5 -9.167 6.411 -6.133 36 1HE LYS 5 2HE LYS 5 -8.958 8.612 -5.562 37 2HE LYS 5 1HE LYS 5 -8.002 8.260 -4.124 38 1HZ LYS 5 1HZ LYS 5 -6.071 8.140 -5.324 39 2HZ LYS 5 2HZ LYS 5 -6.896 9.330 -6.198 40 3HZ LYS 5 3HZ LYS 5 -6.846 7.740 -6.774 41 H LYS 6 H LYS 6 -6.470 5.411 -5.839 42 HA LYS 6 HA LYS 6 -3.886 4.411 -5.507 43 1HB LYS 6 2HB LYS 6 -4.606 5.799 -7.418 44 2HB LYS 6 1HB LYS 6 -4.705 7.196 -6.356 45 1HG LYS 6 2HG LYS 6 -2.186 5.642 -6.901 46 2HG LYS 6 1HG LYS 6 -2.650 7.132 -7.724 47 1HD LYS 6 2HD LYS 6 -2.796 7.393 -4.840 48 2HD LYS 6 1HD LYS 6 -1.182 6.924 -5.379 49 1HE LYS 6 2HE LYS 6 -0.785 8.929 -6.292 50 2HE LYS 6 1HE LYS 6 -2.390 9.014 -7.017 51 1HZ LYS 6 1HZ LYS 6 -1.825 10.722 -5.253 52 2HZ LYS 6 2HZ LYS 6 -1.963 9.468 -4.126 53 3HZ LYS 6 3HZ LYS 6 -3.295 9.905 -5.072 54 H ASP 7 H ASP 7 -2.240 4.845 -4.145 55 HA ASP 7 HA ASP 7 -1.003 6.143 -2.627 56 1HB ASP 7 2HB ASP 7 -2.681 8.041 -3.050 57 2HB ASP 7 1HB ASP 7 -3.561 7.407 -1.664 58 H GLU 8 H GLU 8 -3.768 4.213 -2.198 59 HA GLU 8 HA GLU 8 -3.316 3.808 0.649 60 1HB GLU 8 2HB GLU 8 -5.420 3.015 -1.301 61 2HB GLU 8 1HB GLU 8 -5.177 1.978 0.099 62 1HG GLU 8 2HG GLU 8 -5.243 4.627 1.049 63 2HG GLU 8 1HG GLU 8 -6.578 4.453 -0.089 64 H LEU 9 H LEU 9 -2.575 1.901 1.569 65 HA LEU 9 HA LEU 9 -0.576 0.516 0.244 66 1HB LEU 9 2HB LEU 9 -2.185 -0.168 2.691 67 2HB LEU 9 1HB LEU 9 -0.803 -1.106 2.163 68 HG LEU 9 HG LEU 9 -0.658 0.894 3.956 69 1HD1 LEU 9 1HD1 LEU 9 1.269 -0.360 2.099 70 2HD1 LEU 9 2HD1 LEU 9 1.239 -0.337 3.863 71 3HD1 LEU 9 3HD1 LEU 9 1.813 1.074 2.972 72 1HD2 LEU 9 1HD2 LEU 9 0.504 2.780 2.713 73 2HD2 LEU 9 2HD2 LEU 9 -1.252 2.699 2.576 74 3HD2 LEU 9 3HD2 LEU 9 -0.238 2.126 1.252 75 H CYS 10 H CYS 10 -0.612 -2.034 0.311 76 HA CYS 10 HA CYS 10 -2.861 -3.534 -0.244 77 1HB CYS 10 2HB CYS 10 -2.679 -1.738 -2.250 78 2HB CYS 10 1HB CYS 10 -1.655 -3.012 -2.902 79 H ILE 11 H ILE 11 -2.187 -5.492 -1.802 80 HA ILE 11 HA ILE 11 0.658 -6.066 -1.468 81 HB ILE 11 HB ILE 11 -1.259 -8.227 -0.747 82 1HG1 ILE 11 2HG1 ILE 11 -1.762 -6.042 0.555 83 2HG1 ILE 11 1HG1 ILE 11 -1.539 -7.530 1.469 84 1HG2 ILE 11 1HG2 ILE 11 0.920 -8.280 0.937 85 2HG2 ILE 11 2HG2 ILE 11 1.590 -7.678 -0.580 86 3HG2 ILE 11 3HG2 ILE 11 0.732 -9.218 -0.545 87 1HD1 ILE 11 1HD1 ILE 11 0.391 -6.821 2.410 88 2HD1 ILE 11 2HD1 ILE 11 -0.352 -5.248 2.121 89 3HD1 ILE 11 3HD1 ILE 11 0.861 -5.869 1.002 90 HA PRO 12 HA PRO 12 -0.132 -7.344 -5.688 91 1HB PRO 12 2HB PRO 12 2.690 -8.212 -5.485 92 2HB PRO 12 1HB PRO 12 1.934 -7.106 -6.636 93 1HG PRO 12 2HG PRO 12 3.542 -6.202 -4.702 94 2HG PRO 12 1HG PRO 12 2.104 -5.293 -5.206 95 1HD PRO 12 2HD PRO 12 2.504 -7.026 -2.797 96 2HD PRO 12 1HD PRO 12 1.663 -5.468 -2.936 97 H TYR 13 H TYR 13 -0.474 -9.128 -3.227 98 HA TYR 13 HA TYR 13 -0.533 -11.615 -4.701 99 1HB TYR 13 2HB TYR 13 0.715 -12.038 -2.080 100 2HB TYR 13 1HB TYR 13 1.097 -12.760 -3.639 101 HD1 TYR 13 HD1 TYR 13 2.759 -11.762 -5.099 102 HD2 TYR 13 HD2 TYR 13 1.802 -9.986 -1.352 103 HE1 TYR 13 HE1 TYR 13 4.779 -10.369 -5.250 104 HE2 TYR 13 HE2 TYR 13 3.819 -8.586 -1.494 105 HH TYR 13 HH TYR 13 5.535 -7.949 -2.767 106 H TYR 14 H TYR 14 -2.367 -9.697 -3.355 107 HA TYR 14 HA TYR 14 -3.945 -11.686 -1.954 108 1HB TYR 14 2HB TYR 14 -2.470 -9.610 -0.564 109 2HB TYR 14 1HB TYR 14 -4.201 -9.467 -0.280 110 HD1 TYR 14 HD1 TYR 14 -5.430 -11.630 0.447 111 HD2 TYR 14 HD2 TYR 14 -1.215 -11.111 0.688 112 HE1 TYR 14 HE1 TYR 14 -5.312 -13.425 2.121 113 HE2 TYR 14 HE2 TYR 14 -1.083 -12.906 2.362 114 HH TYR 14 HH TYR 14 -2.897 -15.108 2.849 115 H LEU 15 H LEU 15 -4.077 -8.146 -1.927 116 HA LEU 15 HA LEU 15 -6.760 -8.287 -3.081 117 1HB LEU 15 2HB LEU 15 -5.684 -5.685 -2.217 118 2HB LEU 15 1HB LEU 15 -7.256 -6.406 -1.926 119 HG LEU 15 HG LEU 15 -5.352 -7.899 -0.458 120 1HD1 LEU 15 1HD1 LEU 15 -4.901 -5.713 1.055 121 2HD1 LEU 15 2HD1 LEU 15 -4.794 -5.017 -0.562 122 3HD1 LEU 15 3HD1 LEU 15 -3.749 -6.364 -0.111 123 1HD2 LEU 15 1HD2 LEU 15 -7.506 -5.956 0.352 124 2HD2 LEU 15 2HD2 LEU 15 -6.675 -7.050 1.458 125 3HD2 LEU 15 3HD2 LEU 15 -7.666 -7.701 0.153 126 H ASP 16 H ASP 16 -7.127 -5.926 -4.259 127 HA ASP 16 HA ASP 16 -4.985 -5.457 -6.179 128 1HB ASP 16 2HB ASP 16 -7.783 -6.112 -7.113 129 2HB ASP 16 1HB ASP 16 -6.362 -5.831 -8.114 130 H CYS 17 H CYS 17 -5.191 -3.470 -7.323 131 HA CYS 17 HA CYS 17 -6.755 -1.503 -5.871 132 1HB CYS 17 2HB CYS 17 -4.610 -1.257 -7.984 133 2HB CYS 17 1HB CYS 17 -5.448 0.116 -7.284 134 H CYS 18 H CYS 18 -7.818 0.259 -7.185 135 HA CYS 18 HA CYS 18 -9.839 -0.840 -8.782 136 1HB CYS 18 2HB CYS 18 -9.174 2.041 -9.100 137 2HB CYS 18 1HB CYS 18 -10.733 1.260 -8.864 138 H GLU 19 H GLU 19 -8.850 1.871 -10.450 139 HA GLU 19 HA GLU 19 -7.029 0.705 -12.302 140 1HB GLU 19 2HB GLU 19 -9.321 -0.377 -12.808 141 2HB GLU 19 1HB GLU 19 -9.762 1.197 -13.456 142 1HG GLU 19 2HG GLU 19 -7.456 0.841 -14.751 143 2HG GLU 19 1HG GLU 19 -7.913 -0.846 -14.517 144 HA PRO 20 HA PRO 20 -6.289 1.045 -14.163 145 1HB PRO 20 2HB PRO 20 -4.185 2.266 -15.268 146 2HB PRO 20 1HB PRO 20 -5.798 2.403 -15.977 147 1HG PRO 20 2HG PRO 20 -4.289 4.365 -14.308 148 2HG PRO 20 1HG PRO 20 -5.335 4.653 -15.710 149 1HD PRO 20 2HD PRO 20 -6.093 4.947 -13.048 150 2HD PRO 20 1HD PRO 20 -7.205 4.764 -14.417 151 H LEU 21 H LEU 21 -5.699 2.669 -11.444 152 HA LEU 21 HA LEU 21 -3.034 2.486 -10.804 153 1HB LEU 21 2HB LEU 21 -5.335 1.810 -8.970 154 2HB LEU 21 1HB LEU 21 -3.719 2.272 -8.471 155 HG LEU 21 HG LEU 21 -5.388 4.126 -10.140 156 1HD1 LEU 21 1HD1 LEU 21 -5.966 5.205 -7.902 157 2HD1 LEU 21 2HD1 LEU 21 -5.552 3.648 -7.183 158 3HD1 LEU 21 3HD1 LEU 21 -6.861 3.754 -8.360 159 1HD2 LEU 21 1HD2 LEU 21 -4.007 5.810 -8.934 160 2HD2 LEU 21 2HD2 LEU 21 -3.073 4.711 -9.949 161 3HD2 LEU 21 3HD2 LEU 21 -3.109 4.481 -8.201 162 H GLU 22 H GLU 22 -2.112 0.860 -9.146 163 HA GLU 22 HA GLU 22 -2.878 -1.884 -9.852 164 1HB GLU 22 2HB GLU 22 -0.887 -0.926 -11.202 165 2HB GLU 22 1HB GLU 22 0.017 -1.099 -9.704 166 1HG GLU 22 2HG GLU 22 0.461 -3.051 -10.892 167 2HG GLU 22 1HG GLU 22 -0.757 -3.522 -9.707 168 H CYS 23 H CYS 23 -3.089 -3.137 -8.127 169 HA CYS 23 HA CYS 23 -2.394 -2.183 -5.513 170 1HB CYS 23 2HB CYS 23 -4.402 -3.432 -5.642 171 2HB CYS 23 1HB CYS 23 -3.634 -4.724 -6.557 172 H LYS 24 H LYS 24 -0.052 -1.997 -6.020 173 HA LYS 24 HA LYS 24 1.322 -4.392 -5.124 174 1HB LYS 24 2HB LYS 24 3.060 -3.951 -7.025 175 2HB LYS 24 1HB LYS 24 1.622 -4.905 -7.359 176 1HG LYS 24 2HG LYS 24 1.500 -3.537 -9.144 177 2HG LYS 24 1HG LYS 24 0.683 -2.482 -7.989 178 1HD LYS 24 2HD LYS 24 2.358 -1.227 -9.209 179 2HD LYS 24 1HD LYS 24 2.834 -1.375 -7.516 180 1HE LYS 24 2HE LYS 24 4.728 -2.393 -8.079 181 2HE LYS 24 1HE LYS 24 3.855 -3.589 -9.035 182 1HZ LYS 24 1HZ LYS 24 4.099 -2.368 -10.950 183 2HZ LYS 24 2HZ LYS 24 5.563 -2.037 -10.171 184 3HZ LYS 24 3HZ LYS 24 4.312 -0.899 -10.135 185 H LYS 25 H LYS 25 3.924 -3.526 -5.698 186 HA LYS 25 HA LYS 25 4.382 -1.737 -3.553 187 1HB LYS 25 2HB LYS 25 5.931 -3.549 -4.582 188 2HB LYS 25 1HB LYS 25 6.398 -2.283 -5.708 189 1HG LYS 25 2HG LYS 25 6.985 -0.868 -3.721 190 2HG LYS 25 1HG LYS 25 6.739 -2.303 -2.721 191 1HD LYS 25 2HD LYS 25 8.611 -2.269 -5.077 192 2HD LYS 25 1HD LYS 25 9.124 -1.814 -3.451 193 1HE LYS 25 2HE LYS 25 9.010 -3.947 -2.671 194 2HE LYS 25 1HE LYS 25 7.673 -4.380 -3.736 195 1HZ LYS 25 1HZ LYS 25 10.122 -3.820 -5.135 196 2HZ LYS 25 2HZ LYS 25 9.068 -5.133 -5.287 197 3HZ LYS 25 3HZ LYS 25 10.248 -5.131 -4.074 198 H VAL 26 H VAL 26 4.408 0.401 -3.492 199 HA VAL 26 HA VAL 26 4.043 1.908 -5.955 200 HB VAL 26 HB VAL 26 4.287 3.408 -3.443 201 1HG1 VAL 26 1HG1 VAL 26 1.767 3.761 -4.601 202 2HG1 VAL 26 2HG1 VAL 26 2.878 3.523 -5.950 203 3HG1 VAL 26 3HG1 VAL 26 3.179 4.803 -4.776 204 1HG2 VAL 26 1HG2 VAL 26 3.176 1.909 -2.187 205 2HG2 VAL 26 2HG2 VAL 26 2.571 1.030 -3.592 206 3HG2 VAL 26 3HG2 VAL 26 1.761 2.503 -3.057 207 H ASN 27 H ASN 27 6.449 1.149 -3.633 208 HA ASN 27 HA ASN 27 8.386 2.831 -5.047 209 1HB ASN 27 2HB ASN 27 9.067 2.664 -2.269 210 2HB ASN 27 1HB ASN 27 8.840 4.093 -3.262 211 1HD2 ASN 27 1HD2 ASN 27 6.765 1.544 -1.925 212 2HD2 ASN 27 2HD2 ASN 27 5.588 2.618 -1.257 213 H TRP 28 H TRP 28 9.449 1.459 -2.161 214 HA TRP 28 HA TRP 28 10.334 -1.013 -3.454 215 1HB TRP 28 2HB TRP 28 12.576 -0.670 -3.074 216 2HB TRP 28 1HB TRP 28 12.068 0.992 -3.363 217 HD1 TRP 28 HD1 TRP 28 10.773 1.460 -0.432 218 HE1 TRP 28 HE1 TRP 28 12.361 1.792 1.565 219 HE3 TRP 28 HE3 TRP 28 14.990 -0.665 -2.387 220 HZ2 TRP 28 HZ2 TRP 28 15.047 1.229 2.224 221 HZ3 TRP 28 HZ3 TRP 28 17.027 -0.728 -1.009 222 HH2 TRP 28 HH2 TRP 28 17.053 0.201 1.249 223 H TRP 29 H TRP 29 9.379 0.750 -0.664 224 HA TRP 29 HA TRP 29 9.437 -1.732 0.920 225 1HB TRP 29 2HB TRP 29 10.273 -0.672 2.767 226 2HB TRP 29 1HB TRP 29 11.013 0.335 1.527 227 HD1 TRP 29 HD1 TRP 29 7.949 0.357 3.891 228 HE1 TRP 29 HE1 TRP 29 7.349 2.808 4.399 229 HE3 TRP 29 HE3 TRP 29 11.309 2.676 0.809 230 HZ2 TRP 29 HZ2 TRP 29 8.185 5.381 3.598 231 HZ3 TRP 29 HZ3 TRP 29 11.342 5.134 0.739 232 HH2 TRP 29 HH2 TRP 29 9.812 6.458 2.105 233 H ASP 30 H ASP 30 7.728 1.140 -0.038 234 HA ASP 30 HA ASP 30 5.462 0.491 1.690 235 1HB ASP 30 2HB ASP 30 6.569 2.900 0.821 236 2HB ASP 30 1HB ASP 30 5.070 2.747 -0.091 237 H HIS 31 H HIS 31 3.960 -0.850 0.939 238 HA HIS 31 HA HIS 31 3.587 -1.104 -1.954 239 1HB HIS 31 2HB HIS 31 3.090 -2.882 0.391 240 2HB HIS 31 1HB HIS 31 2.090 -3.087 -1.042 241 HD1 HIS 31 HD1 HIS 31 5.774 -3.020 -0.119 242 HD2 HIS 31 HD2 HIS 31 3.210 -4.669 -2.944 243 HE1 HIS 31 HE1 HIS 31 7.197 -4.570 -1.495 244 HE2 HIS 31 HE2 HIS 31 5.640 -5.503 -3.243 245 H LYS 32 H LYS 32 1.962 -0.033 -2.863 246 HA LYS 32 HA LYS 32 -0.618 0.100 -1.537 247 1HB LYS 32 2HB LYS 32 0.692 2.620 -2.554 248 2HB LYS 32 1HB LYS 32 -0.842 2.480 -1.707 249 1HG LYS 32 2HG LYS 32 0.176 2.728 0.240 250 2HG LYS 32 1HG LYS 32 1.217 1.342 -0.093 251 1HD LYS 32 2HD LYS 32 2.902 2.813 -0.091 252 2HD LYS 32 1HD LYS 32 2.300 3.312 -1.673 253 1HE LYS 32 2HE LYS 32 2.631 5.236 -0.212 254 2HE LYS 32 1HE LYS 32 0.927 5.030 -0.616 255 1HZ LYS 32 1HZ LYS 32 0.637 3.913 1.545 256 2HZ LYS 32 2HZ LYS 32 1.140 5.520 1.705 257 3HZ LYS 32 3HZ LYS 32 2.247 4.262 1.930 258 H CYS 33 H CYS 33 -1.387 2.249 -3.410 259 HA CYS 33 HA CYS 33 -1.803 0.564 -5.762 260 1HB CYS 33 2HB CYS 33 -3.273 2.868 -4.528 261 2HB CYS 33 1HB CYS 33 -3.561 2.421 -6.201 262 H ILE 34 H ILE 34 -0.890 1.061 -7.663 263 HA ILE 34 HA ILE 34 0.293 3.742 -7.976 264 HB ILE 34 HB ILE 34 1.711 2.210 -9.727 265 1HG1 ILE 34 2HG1 ILE 34 0.473 0.263 -8.385 266 2HG1 ILE 34 1HG1 ILE 34 2.124 0.089 -8.970 267 1HG2 ILE 34 1HG2 ILE 34 3.521 2.307 -7.988 268 2HG2 ILE 34 2HG2 ILE 34 2.311 2.935 -6.868 269 3HG2 ILE 34 3HG2 ILE 34 2.719 3.842 -8.324 270 1HD1 ILE 34 1HD1 ILE 34 2.163 1.297 -6.386 271 2HD1 ILE 34 2HD1 ILE 34 2.848 -0.241 -6.911 272 3HD1 ILE 34 3HD1 ILE 34 1.180 -0.167 -6.341 273 H GLY 35 HN GLY 35 1.092 2.879 -10.739 274 1HA GLY 35 2HA GLY 35 -1.200 2.268 -12.260 275 2HA GLY 35 1HA GLY 35 -1.038 4.015 -12.156 Start of MODEL 20 1 HN PCA 1 HN PCA 1 -10.567 -7.982 -3.431 2 HA PCA 1 HA PCA 1 -13.241 -8.237 -3.054 3 1HB PCA 1 1HB PCA 1 -12.499 -7.070 -0.375 4 2HB PCA 1 2HB PCA 1 -13.789 -8.239 -0.786 5 1HG PCA 1 1HG PCA 1 -11.265 -8.905 0.321 6 2HG PCA 1 2HG PCA 1 -12.366 -10.051 -0.504 7 H GLN 2 H GLN 2 -13.813 -6.579 -4.296 8 HA GLN 2 HA GLN 2 -14.098 -4.478 -5.114 9 1HB GLN 2 2HB GLN 2 -14.897 -3.895 -2.915 10 2HB GLN 2 1HB GLN 2 -13.252 -3.729 -2.315 11 1HG GLN 2 2HG GLN 2 -13.252 -1.975 -4.391 12 2HG GLN 2 1HG GLN 2 -14.913 -1.846 -3.813 13 1HE2 GLN 2 1HE2 GLN 2 -11.823 -2.368 -2.155 14 2HE2 GLN 2 2HE2 GLN 2 -11.971 -1.018 -1.087 15 H CYS 3 H CYS 3 -12.928 -2.347 -5.483 16 HA CYS 3 HA CYS 3 -10.296 -2.963 -6.446 17 1HB CYS 3 2HB CYS 3 -10.437 -1.007 -7.659 18 2HB CYS 3 1HB CYS 3 -12.143 -1.369 -7.459 19 H VAL 4 H VAL 4 -9.241 -0.307 -6.149 20 HA VAL 4 HA VAL 4 -8.917 0.255 -3.352 21 HB VAL 4 HB VAL 4 -6.461 -0.641 -4.852 22 1HG1 VAL 4 1HG1 VAL 4 -5.879 0.920 -3.178 23 2HG1 VAL 4 2HG1 VAL 4 -5.535 -0.669 -2.495 24 3HG1 VAL 4 3HG1 VAL 4 -6.993 0.200 -2.015 25 1HG2 VAL 4 1HG2 VAL 4 -6.486 -2.665 -3.529 26 2HG2 VAL 4 2HG2 VAL 4 -7.990 -2.537 -4.443 27 3HG2 VAL 4 3HG2 VAL 4 -7.967 -2.151 -2.722 28 H LYS 5 H LYS 5 -8.581 2.365 -3.144 29 HA LYS 5 HA LYS 5 -8.257 3.994 -5.466 30 1HB LYS 5 2HB LYS 5 -9.258 4.321 -2.854 31 2HB LYS 5 1HB LYS 5 -7.941 5.467 -3.035 32 1HG LYS 5 2HG LYS 5 -9.273 5.826 -5.372 33 2HG LYS 5 1HG LYS 5 -10.594 5.437 -4.268 34 1HD LYS 5 2HD LYS 5 -10.507 7.480 -3.397 35 2HD LYS 5 1HD LYS 5 -8.807 7.255 -2.980 36 1HE LYS 5 2HE LYS 5 -8.244 8.741 -4.530 37 2HE LYS 5 1HE LYS 5 -8.937 7.694 -5.768 38 1HZ LYS 5 1HZ LYS 5 -11.144 8.764 -5.060 39 2HZ LYS 5 2HZ LYS 5 -10.089 9.664 -6.027 40 3HZ LYS 5 3HZ LYS 5 -10.179 9.969 -4.366 41 H LYS 6 H LYS 6 -6.530 5.249 -6.071 42 HA LYS 6 HA LYS 6 -3.952 4.343 -5.531 43 1HB LYS 6 2HB LYS 6 -4.185 5.541 -7.524 44 2HB LYS 6 1HB LYS 6 -5.033 6.868 -6.740 45 1HG LYS 6 2HG LYS 6 -3.131 7.920 -6.162 46 2HG LYS 6 1HG LYS 6 -2.273 6.414 -5.830 47 1HD LYS 6 2HD LYS 6 -1.183 6.757 -7.746 48 2HD LYS 6 1HD LYS 6 -2.693 6.353 -8.566 49 1HE LYS 6 2HE LYS 6 -1.786 8.466 -9.380 50 2HE LYS 6 1HE LYS 6 -3.331 8.708 -8.565 51 1HZ LYS 6 1HZ LYS 6 -0.656 9.562 -7.772 52 2HZ LYS 6 2HZ LYS 6 -1.709 9.100 -6.532 53 3HZ LYS 6 3HZ LYS 6 -2.142 10.349 -7.587 54 H ASP 7 H ASP 7 -2.312 5.037 -4.200 55 HA ASP 7 HA ASP 7 -1.272 6.386 -2.598 56 1HB ASP 7 2HB ASP 7 -3.508 7.938 -3.117 57 2HB ASP 7 1HB ASP 7 -3.654 7.565 -1.402 58 H GLU 8 H GLU 8 -3.966 4.344 -2.332 59 HA GLU 8 HA GLU 8 -3.650 3.925 0.534 60 1HB GLU 8 2HB GLU 8 -5.501 2.524 -1.406 61 2HB GLU 8 1HB GLU 8 -5.574 2.453 0.350 62 1HG GLU 8 2HG GLU 8 -6.105 4.833 0.431 63 2HG GLU 8 1HG GLU 8 -6.023 4.912 -1.329 64 H LEU 9 H LEU 9 -2.948 1.986 1.447 65 HA LEU 9 HA LEU 9 -0.878 0.661 0.121 66 1HB LEU 9 2HB LEU 9 -2.442 0.036 2.607 67 2HB LEU 9 1HB LEU 9 -1.115 -0.971 2.063 68 HG LEU 9 HG LEU 9 -0.879 1.121 3.786 69 1HD1 LEU 9 1HD1 LEU 9 1.556 0.979 3.296 70 2HD1 LEU 9 2HD1 LEU 9 1.168 -0.028 1.901 71 3HD1 LEU 9 3HD1 LEU 9 0.777 -0.586 3.528 72 1HD2 LEU 9 1HD2 LEU 9 -0.616 2.160 1.025 73 2HD2 LEU 9 2HD2 LEU 9 0.592 2.677 2.203 74 3HD2 LEU 9 3HD2 LEU 9 -1.120 2.979 2.504 75 H CYS 10 H CYS 10 -0.920 -1.922 0.307 76 HA CYS 10 HA CYS 10 -3.150 -3.430 -0.269 77 1HB CYS 10 2HB CYS 10 -3.165 -1.755 -2.262 78 2HB CYS 10 1HB CYS 10 -1.834 -2.729 -2.874 79 H ILE 11 H ILE 11 -2.287 -5.244 -2.126 80 HA ILE 11 HA ILE 11 0.486 -5.864 -1.560 81 HB ILE 11 HB ILE 11 -1.474 -8.033 -0.995 82 1HG1 ILE 11 2HG1 ILE 11 -0.603 -5.936 1.005 83 2HG1 ILE 11 1HG1 ILE 11 -2.237 -6.155 0.389 84 1HG2 ILE 11 1HG2 ILE 11 1.143 -7.472 0.359 85 2HG2 ILE 11 2HG2 ILE 11 1.069 -8.274 -1.211 86 3HG2 ILE 11 3HG2 ILE 11 0.291 -9.007 0.193 87 1HD1 ILE 11 1HD1 ILE 11 -0.951 -8.485 1.680 88 2HD1 ILE 11 2HD1 ILE 11 -2.634 -7.957 1.700 89 3HD1 ILE 11 3HD1 ILE 11 -1.442 -7.142 2.712 90 HA PRO 12 HA PRO 12 -0.037 -7.305 -5.742 91 1HB PRO 12 2HB PRO 12 2.513 -8.088 -6.153 92 2HB PRO 12 1HB PRO 12 2.046 -6.383 -6.100 93 1HG PRO 12 2HG PRO 12 3.300 -8.071 -3.971 94 2HG PRO 12 1HG PRO 12 3.675 -6.404 -4.444 95 1HD PRO 12 2HD PRO 12 2.138 -7.040 -2.282 96 2HD PRO 12 1HD PRO 12 1.951 -5.533 -3.202 97 H TYR 13 H TYR 13 -0.699 -9.070 -3.464 98 HA TYR 13 HA TYR 13 -0.601 -11.563 -4.861 99 1HB TYR 13 2HB TYR 13 0.784 -11.545 -2.183 100 2HB TYR 13 1HB TYR 13 0.714 -12.851 -3.361 101 HD1 TYR 13 HD1 TYR 13 2.461 -9.867 -2.303 102 HD2 TYR 13 HD2 TYR 13 2.026 -12.669 -5.475 103 HE1 TYR 13 HE1 TYR 13 4.603 -9.118 -3.249 104 HE2 TYR 13 HE2 TYR 13 4.168 -11.927 -6.430 105 HH TYR 13 HH TYR 13 5.768 -9.102 -5.385 106 H TYR 14 H TYR 14 -2.567 -9.752 -3.765 107 HA TYR 14 HA TYR 14 -4.209 -11.673 -2.418 108 1HB TYR 14 2HB TYR 14 -2.670 -9.832 -0.833 109 2HB TYR 14 1HB TYR 14 -4.385 -9.478 -0.654 110 HD1 TYR 14 HD1 TYR 14 -1.703 -11.546 0.410 111 HD2 TYR 14 HD2 TYR 14 -5.926 -11.478 -0.094 112 HE1 TYR 14 HE1 TYR 14 -1.917 -13.407 2.003 113 HE2 TYR 14 HE2 TYR 14 -6.153 -13.338 1.496 114 HH TYR 14 HH TYR 14 -5.093 -14.795 2.790 115 H LEU 15 H LEU 15 -4.173 -8.129 -2.229 116 HA LEU 15 HA LEU 15 -6.804 -8.104 -3.525 117 1HB LEU 15 2HB LEU 15 -5.927 -5.560 -2.464 118 2HB LEU 15 1HB LEU 15 -7.371 -6.483 -2.100 119 HG LEU 15 HG LEU 15 -5.520 -7.902 -0.729 120 1HD1 LEU 15 1HD1 LEU 15 -3.949 -5.913 -1.467 121 2HD1 LEU 15 2HD1 LEU 15 -3.820 -6.652 0.129 122 3HD1 LEU 15 3HD1 LEU 15 -4.689 -5.130 -0.071 123 1HD2 LEU 15 1HD2 LEU 15 -6.327 -5.922 1.056 124 2HD2 LEU 15 2HD2 LEU 15 -7.136 -7.454 0.727 125 3HD2 LEU 15 3HD2 LEU 15 -7.606 -6.001 -0.155 126 H ASP 16 H ASP 16 -7.280 -6.214 -4.928 127 HA ASP 16 HA ASP 16 -4.926 -5.357 -6.472 128 1HB ASP 16 2HB ASP 16 -6.403 -7.209 -7.530 129 2HB ASP 16 1HB ASP 16 -7.572 -5.918 -7.789 130 H CYS 17 H CYS 17 -5.240 -3.356 -7.680 131 HA CYS 17 HA CYS 17 -6.869 -1.495 -6.166 132 1HB CYS 17 2HB CYS 17 -4.820 -1.051 -8.343 133 2HB CYS 17 1HB CYS 17 -5.635 0.223 -7.451 134 H CYS 18 H CYS 18 -8.038 0.243 -7.389 135 HA CYS 18 HA CYS 18 -10.021 -0.889 -9.014 136 1HB CYS 18 2HB CYS 18 -9.522 2.034 -9.214 137 2HB CYS 18 1HB CYS 18 -11.030 1.158 -8.975 138 H GLU 19 H GLU 19 -8.487 1.975 -10.272 139 HA GLU 19 HA GLU 19 -6.819 1.085 -12.219 140 1HB GLU 19 2HB GLU 19 -9.423 0.114 -12.748 141 2HB GLU 19 1HB GLU 19 -9.099 1.367 -13.937 142 1HG GLU 19 2HG GLU 19 -7.469 0.175 -14.960 143 2HG GLU 19 1HG GLU 19 -6.960 -0.618 -13.470 144 HA PRO 20 HA PRO 20 -6.367 1.528 -14.326 145 1HB PRO 20 2HB PRO 20 -4.477 2.997 -15.521 146 2HB PRO 20 1HB PRO 20 -6.147 3.000 -16.100 147 1HG PRO 20 2HG PRO 20 -4.712 5.028 -14.442 148 2HG PRO 20 1HG PRO 20 -5.877 5.273 -15.755 149 1HD PRO 20 2HD PRO 20 -6.479 5.395 -13.053 150 2HD PRO 20 1HD PRO 20 -7.661 5.109 -14.344 151 H LEU 21 H LEU 21 -5.927 2.169 -11.518 152 HA LEU 21 HA LEU 21 -3.065 2.384 -11.166 153 1HB LEU 21 2HB LEU 21 -5.124 1.689 -9.079 154 2HB LEU 21 1HB LEU 21 -3.510 2.321 -8.817 155 HG LEU 21 HG LEU 21 -5.551 3.925 -10.323 156 1HD1 LEU 21 1HD1 LEU 21 -5.383 4.835 -7.650 157 2HD1 LEU 21 2HD1 LEU 21 -5.774 3.115 -7.607 158 3HD1 LEU 21 3HD1 LEU 21 -6.795 4.229 -8.516 159 1HD2 LEU 21 1HD2 LEU 21 -3.951 5.557 -8.767 160 2HD2 LEU 21 2HD2 LEU 21 -3.766 5.247 -10.493 161 3HD2 LEU 21 3HD2 LEU 21 -2.853 4.295 -9.323 162 H GLU 22 H GLU 22 -2.030 0.737 -9.609 163 HA GLU 22 HA GLU 22 -2.955 -1.988 -10.179 164 1HB GLU 22 2HB GLU 22 -1.085 -1.098 -11.761 165 2HB GLU 22 1HB GLU 22 -0.034 -1.337 -10.372 166 1HG GLU 22 2HG GLU 22 -0.098 -3.228 -12.003 167 2HG GLU 22 1HG GLU 22 -0.460 -3.663 -10.333 168 H CYS 23 H CYS 23 -3.221 -2.975 -8.302 169 HA CYS 23 HA CYS 23 -2.165 -2.054 -5.853 170 1HB CYS 23 2HB CYS 23 -4.165 -3.280 -5.697 171 2HB CYS 23 1HB CYS 23 -3.551 -4.584 -6.707 172 H LYS 24 H LYS 24 0.100 -1.889 -6.174 173 HA LYS 24 HA LYS 24 1.500 -4.383 -5.649 174 1HB LYS 24 2HB LYS 24 3.244 -3.491 -7.451 175 2HB LYS 24 1HB LYS 24 1.925 -4.571 -7.884 176 1HG LYS 24 2HG LYS 24 1.177 -3.083 -9.336 177 2HG LYS 24 1HG LYS 24 0.956 -1.912 -8.036 178 1HD LYS 24 2HD LYS 24 2.477 -1.274 -10.013 179 2HD LYS 24 1HD LYS 24 3.055 -0.956 -8.376 180 1HE LYS 24 2HE LYS 24 4.837 -2.231 -8.727 181 2HE LYS 24 1HE LYS 24 3.807 -3.604 -9.127 182 1HZ LYS 24 1HZ LYS 24 5.378 -1.986 -10.848 183 2HZ LYS 24 2HZ LYS 24 3.760 -1.965 -11.341 184 3HZ LYS 24 3HZ LYS 24 4.577 -3.438 -11.184 185 H LYS 25 H LYS 25 4.095 -3.313 -6.141 186 HA LYS 25 HA LYS 25 4.496 -1.899 -3.694 187 1HB LYS 25 2HB LYS 25 6.101 -3.548 -4.700 188 2HB LYS 25 1HB LYS 25 6.488 -2.342 -5.919 189 1HG LYS 25 2HG LYS 25 7.239 -0.819 -4.134 190 2HG LYS 25 1HG LYS 25 6.914 -2.086 -2.949 191 1HD LYS 25 2HD LYS 25 9.273 -2.059 -3.510 192 2HD LYS 25 1HD LYS 25 8.530 -3.545 -4.103 193 1HE LYS 25 2HE LYS 25 8.215 -2.052 -6.279 194 2HE LYS 25 1HE LYS 25 9.616 -1.225 -5.601 195 1HZ LYS 25 1HZ LYS 25 9.801 -4.113 -5.643 196 2HZ LYS 25 2HZ LYS 25 10.953 -2.948 -6.060 197 3HZ LYS 25 3HZ LYS 25 9.755 -3.386 -7.171 198 H VAL 26 H VAL 26 4.573 0.200 -3.323 199 HA VAL 26 HA VAL 26 4.262 2.053 -5.546 200 HB VAL 26 HB VAL 26 4.477 3.141 -2.815 201 1HG1 VAL 26 1HG1 VAL 26 3.556 4.767 -4.035 202 2HG1 VAL 26 2HG1 VAL 26 2.052 3.859 -3.889 203 3HG1 VAL 26 3HG1 VAL 26 3.071 3.653 -5.313 204 1HG2 VAL 26 1HG2 VAL 26 2.930 1.933 -1.762 205 2HG2 VAL 26 2HG2 VAL 26 3.090 0.751 -3.060 206 3HG2 VAL 26 3HG2 VAL 26 1.840 1.991 -3.148 207 H ASN 27 H ASN 27 6.635 0.938 -3.325 208 HA ASN 27 HA ASN 27 8.620 2.711 -4.514 209 1HB ASN 27 2HB ASN 27 9.178 2.429 -1.720 210 2HB ASN 27 1HB ASN 27 9.000 3.897 -2.666 211 1HD2 ASN 27 1HD2 ASN 27 6.683 1.350 -1.859 212 2HD2 ASN 27 2HD2 ASN 27 5.550 2.390 -1.070 213 H TRP 28 H TRP 28 9.629 1.257 -1.667 214 HA TRP 28 HA TRP 28 10.561 -1.163 -3.034 215 1HB TRP 28 2HB TRP 28 12.774 -0.802 -2.559 216 2HB TRP 28 1HB TRP 28 12.258 0.876 -2.697 217 HD1 TRP 28 HD1 TRP 28 10.840 1.044 0.205 218 HE1 TRP 28 HE1 TRP 28 12.338 1.180 2.292 219 HE3 TRP 28 HE3 TRP 28 15.146 -0.874 -1.764 220 HZ2 TRP 28 HZ2 TRP 28 14.998 0.555 3.008 221 HZ3 TRP 28 HZ3 TRP 28 17.124 -1.073 -0.313 222 HH2 TRP 28 HH2 TRP 28 17.049 -0.372 2.025 223 H TRP 29 H TRP 29 9.145 0.306 -0.363 224 HA TRP 29 HA TRP 29 9.266 -2.214 1.134 225 1HB TRP 29 2HB TRP 29 9.975 -1.256 3.088 226 2HB TRP 29 1HB TRP 29 10.781 -0.180 1.951 227 HD1 TRP 29 HD1 TRP 29 7.552 -0.292 4.083 228 HE1 TRP 29 HE1 TRP 29 6.918 2.125 4.696 229 HE3 TRP 29 HE3 TRP 29 11.143 2.191 1.424 230 HZ2 TRP 29 HZ2 TRP 29 7.819 4.738 4.127 231 HZ3 TRP 29 HZ3 TRP 29 11.187 4.649 1.510 232 HH2 TRP 29 HH2 TRP 29 9.557 5.894 2.835 233 H ASP 30 H ASP 30 7.596 0.762 0.363 234 HA ASP 30 HA ASP 30 5.231 -0.080 1.858 235 1HB ASP 30 2HB ASP 30 6.145 2.321 1.848 236 2HB ASP 30 1HB ASP 30 5.480 2.436 0.223 237 H HIS 31 H HIS 31 3.697 -1.233 0.915 238 HA HIS 31 HA HIS 31 3.509 -1.223 -2.012 239 1HB HIS 31 2HB HIS 31 2.976 -3.246 0.098 240 2HB HIS 31 1HB HIS 31 1.944 -3.284 -1.325 241 HD1 HIS 31 HD1 HIS 31 5.696 -3.087 -0.673 242 HD2 HIS 31 HD2 HIS 31 2.965 -4.897 -3.229 243 HE1 HIS 31 HE1 HIS 31 7.066 -4.536 -2.204 244 HE2 HIS 31 HE2 HIS 31 5.387 -5.679 -3.694 245 H LYS 32 H LYS 32 1.891 -0.151 -2.925 246 HA LYS 32 HA LYS 32 -0.707 -0.031 -1.617 247 1HB LYS 32 2HB LYS 32 0.658 2.477 -2.591 248 2HB LYS 32 1HB LYS 32 -0.897 2.357 -1.781 249 1HG LYS 32 2HG LYS 32 0.213 1.599 0.255 250 2HG LYS 32 1HG LYS 32 1.776 1.708 -0.556 251 1HD LYS 32 2HD LYS 32 0.046 4.118 -0.574 252 2HD LYS 32 1HD LYS 32 0.816 3.676 0.951 253 1HE LYS 32 2HE LYS 32 2.989 3.548 -0.339 254 2HE LYS 32 1HE LYS 32 2.133 4.310 -1.678 255 1HZ LYS 32 1HZ LYS 32 2.943 5.442 0.894 256 2HZ LYS 32 2HZ LYS 32 1.509 6.013 0.203 257 3HZ LYS 32 3HZ LYS 32 2.965 6.139 -0.648 258 H CYS 33 H CYS 33 -1.407 2.173 -3.489 259 HA CYS 33 HA CYS 33 -1.824 0.501 -5.857 260 1HB CYS 33 2HB CYS 33 -3.338 2.735 -4.565 261 2HB CYS 33 1HB CYS 33 -3.585 2.389 -6.270 262 H ILE 34 H ILE 34 -1.002 1.060 -7.788 263 HA ILE 34 HA ILE 34 0.103 3.771 -8.103 264 HB ILE 34 HB ILE 34 1.707 2.207 -9.710 265 1HG1 ILE 34 2HG1 ILE 34 0.780 0.199 -8.521 266 2HG1 ILE 34 1HG1 ILE 34 2.527 0.377 -8.385 267 1HG2 ILE 34 1HG2 ILE 34 2.181 3.274 -6.933 268 2HG2 ILE 34 2HG2 ILE 34 2.488 4.095 -8.463 269 3HG2 ILE 34 3HG2 ILE 34 3.456 2.694 -8.004 270 1HD1 ILE 34 1HD1 ILE 34 1.996 -0.139 -6.235 271 2HD1 ILE 34 2HD1 ILE 34 0.422 0.651 -6.315 272 3HD1 ILE 34 3HD1 ILE 34 1.888 1.620 -6.160 273 H GLY 35 HN GLY 35 1.129 2.688 -10.776 274 1HA GLY 35 2HA GLY 35 -1.402 2.401 -12.223 275 2HA GLY 35 1HA GLY 35 -0.388 3.784 -12.611
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